1-[(1S)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1S)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H22ClN4O4+ MolecularWeight: 417.86608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4/c21-16-7-6-15(12-17(16)25(28)29)23-20(27)18(13-4-2-1-3-5-13)24-10-8-14(9-11-24)19(22)26/h1-7,12,14,18H,8-11H2,(H2,22,26)(H,23,27)/p+1/t18-/m0/s1