2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}ethenyl)-1,3,3-trimethylindol-1-ium chloride

2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}ethenyl)-1,3,3-trimethylindol-1-ium chloride

CAS: 12217-48-0

Formula: C23H26ClN3

SMILES: [Cl-].CN(CCC#N)C1=CC=C(C=CC2=[N+](C)C3=CC=CC=C3C2(C)C)C=C1

IUPAC: 2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}ethenyl)-1,3,3-trimethyl-3H-indol-1-ium chloride

InChI: InChI=1S/C23H26N3.ClH/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;/h5-6,8-15H,7,17H2,1-4H3;1H/q+1;/p-1

Composition: C (72.71%), H (6.90%), Cl (9.33%), N (11.06%)

Molar Mass: 379.93

Atom Count: 53

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	379.1815255
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NJIRSTSECXKPCO-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	121.39
Topological Polar Surface Area	30.04
Polarizability	41.21
Ring Count	3
Rotatable Bond Count	5

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99%	<10 Days	12217-48-0		Quote Only