2-[(3-nitrophenyl)amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[(3-nitrophenyl)amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-nitroanilino)acetamide CAS Name: 2-(3-nitroanilino)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-nitroanilino)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-nitroanilino)acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3/c25-20(14-21-18-7-4-8-19(13-18)24(26)27)22-17-9-11-23(12-10-17)15-16-5-2-1-3-6-16/h1-8,13,17,21H,9-12,14-15H2,(H,22,25)/p+1