2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5O4/c1-30-19-12-15(26(28)29)6-7-18(19)22-20(27)13-25-10-8-14(9-11-25)21-23-16-4-2-3-5-17(16)24-21/h2-7,12,14H,8-11,13H2,1H3,(H,22,27)(H,23,24)/p+1