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

Systemtic Name: 1-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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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)NCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-24(19-7-9-20(10-8-19)26(29)30)21(27)16-25-13-11-18(12-14-25)22(28)23-15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,23,28)/p+1