1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-nitroanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-nitroanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-nitroanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(2-nitroanilino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c25-19(22-17-8-4-5-9-18(17)24(27)28)14-23-12-10-15(11-13-23)20(26)21-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,21,26)(H,22,25)/p+1