4-[3-[(4-nitrophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]aniline

Systemtic Name: 4-[3-[(4-nitrophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]aniline Openeye Name: 4-[3-[(4-nitrophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]aniline CAS Name: 4-[3-[(4-nitrophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]aniline IUPAC Name: 4-[3-[(4-nitrophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]aniline Traditional Name: [4-[3-(4-nitrobenzyl)-1H-benzimidazol-3-ium-2-yl]phenyl]amine Formula: C20H17N4O2+ MolecularWeight: 345.37458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)N

InChI

InChI=1S/C20H16N4O2/c21-16-9-7-15(8-10-16)20-22-18-3-1-2-4-19(18)23(20)13-14-5-11-17(12-6-14)24(25)26/h1-12H,13H2,(H2,21,22)/p+1