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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-16-13-19(24(26)27)7-8-20(16)22-21(25)15-23-11-9-18(10-12-23)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,22,25)/p+1