(4-nitrophenyl)-[6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3H-benzimidazol-1-ium-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3H-benzimidazol-1-ium-1-yl]methanone Openeye Name: [6-(4-benzylpiperidine-1-carbonyl)-3H-benzimidazol-1-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: (4-nitrophenyl)-[6-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3H-benzimidazol-1-ium-1-yl]methanone IUPAC Name: [6-(4-benzylpiperidine-1-carbonyl)-3H-benzimidazol-1-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [6-(4-benzylpiperidine-1-carbonyl)-3H-benzimidazol-1-ium-1-yl]-(4-nitrophenyl)methanone Formula: C27H25N4O4+ MolecularWeight: 469.5118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=[N+]4C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=[N+]4C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O4/c32-26(29-14-12-20(13-15-29)16-19-4-2-1-3-5-19)22-8-11-24-25(17-22)30(18-28-24)27(33)21-6-9-23(10-7-21)31(34)35/h1-11,17-18,20H,12-16H2/p+1