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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-15(20(26)23-18-9-5-6-10-19(18)25(28)29)24-13-11-16(12-14-24)21(27)22-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,22,27)(H,23,26)/p+1/t15-/m0/s1