1-(3-nitrophenyl)-N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine

Systemtic Name: 1-(3-nitrophenyl)-N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine Openeye Name: 1-(3-nitrophenyl)-N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine CAS Name: 1-(3-nitrophenyl)-N-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzimidazolyl]methanimine IUPAC Name: 1-(3-nitrophenyl)-N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine Traditional Name: (3-nitrobenzylidene)-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]amine Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C3=CC=CC=C3N=C2N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C3=CC=CC=C3N=C2N=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c26-25(27)17-7-5-6-16(14-17)15-21-20-22-18-8-1-2-9-19(18)24(20)13-12-23-10-3-4-11-23/h1-2,5-9,14-15H,3-4,10-13H2/p+1