N-(3-nitrophenyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C20H22N5O4+ MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c26-19(21-14-4-3-5-16(12-14)25(28)29)13-23-10-8-15(9-11-23)24-18-7-2-1-6-17(18)22-20(24)27/h1-7,12,15H,8-11,13H2,(H,21,26)(H,22,27)/p+1