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

Systemtic Name: 1-(3-nitrophenyl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine Openeye Name: 1-(3-nitrophenyl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine CAS Name: 1-(3-nitrophenyl)-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]methanimine IUPAC Name: 1-(3-nitrophenyl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine Traditional Name: (3-nitrobenzylidene)-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amine Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2N=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2/c27-26(28)18-8-6-7-17(15-18)16-22-21-23-19-9-2-3-10-20(19)25(21)14-13-24-11-4-1-5-12-24/h2-3,6-10,15-16H,1,4-5,11-14H2/p+1