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

Systemtic Name: N,N-dimethyl-1-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-dimethyl-1-[(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-dimethyl-1-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-dimethyl-1-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide Formula: C17H25N4O4+ MolecularWeight: 349.4048

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4/c1-12(20-10-8-13(9-11-20)17(23)19(2)3)16(22)18-14-6-4-5-7-15(14)21(24)25/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)/p+1/t12-/m0/s1