1-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-16(21(27)24-19-9-5-6-10-20(19)26(29)30)25-13-11-18(12-14-25)22(28)23-15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,28)(H,24,27)/p+1/t16-/m0/s1