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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27N4O6+ MolecularWeight: 443.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C22H26N4O6/c1-14(21(28)24-18-13-16(26(30)31)7-8-20(18)32-2)25-11-9-15(10-12-25)22(29)23-17-5-3-4-6-19(17)27/h3-8,13-15,27H,9-12H2,1-2H3,(H,23,29)(H,24,28)/p+1/t14-/m0/s1