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3,16-dihydroxy-4,15-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-ium chloride

3,16-dihydroxy-4,15-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-ium chloride

CAS: 6681-18-1

Formula: C20H24ClNO4

SMILES: [Cl-].COC1=C(O)C2=C(CC3C4=C2C(O)=C(OC)C=C4CC[N+]3(C)C)C=C1

IUPAC: 3,16-dihydroxy-4,15-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-ium chloride

InChI: InChI=1/C20H23NO4.ClH/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1H

Composition: C (63.57%), H (6.40%), Cl (9.38%), N (3.71%), O (16.94%)

Molar Mass: 377.87

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 377.139386
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey STVJLBTYWBXDBP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.83
Topological Polar Surface Area 58.92
Polarizability 38.41
Ring Count 4
Rotatable Bond Count 2

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98% <4 Days 6681-18-1 $789.63-$1,217.69$789.63$1,217.69
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