1-(2-hydroxy-3-phenoxypropyl)-1-methyl-4-(4-nitrobenzoyl)piperazin-1-ium

1-(2-hydroxy-3-phenoxypropyl)-1-methyl-4-(4-nitrobenzoyl)piperazin-1-ium

Formula: C21H26N3O5

SMILES: C[N+]1(CC(O)COC2=CC=CC=C2)CCN(CC1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-(2-hydroxy-3-phenoxypropyl)-1-methyl-4-(4-nitrobenzoyl)piperazin-1-ium

InChI: InChI=1/C21H26N3O5/c1-24(15-19(25)16-29-20-5-3-2-4-6-20)13-11-22(12-14-24)21(26)17-7-9-18(10-8-17)23(27)28/h2-10,19,25H,11-16H2,1H3/q+1

Composition: C (62.99%), H (6.54%), N (10.49%), O (19.98%)

Molar Mass: 400.454

Atom Count: 55

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	400.186697369
Formal Charge	1
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OPSYHBROXNVHJH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.73
Topological Polar Surface Area	92.91
Polarizability	41.41
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00