1-[(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C15H20ClN4O4+ MolecularWeight: 355.7967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4O4/c1-9(19-6-4-10(5-7-19)14(17)21)15(22)18-13-8-11(20(23)24)2-3-12(13)16/h2-3,8-10H,4-7H2,1H3,(H2,17,21)(H,18,22)/p+1/t9-/m0/s1