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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-28-20-14-18(24(26)27)7-8-19(20)22-21(25)15-23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,22,25)/p+1