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

Systemtic Name: 1-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-23(18-7-9-19(10-8-18)25(28)29)20(26)15-24-13-11-16(12-14-24)21(27)22-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,22,27)/p+1