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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-keto-1-methyl-2-(4-nitroanilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-14(20(27)22-16-6-8-17(9-7-16)25(29)30)24-12-10-15(11-13-24)21(28)23-18-4-2-3-5-19(18)26/h2-9,14-15,26H,10-13H2,1H3,(H,22,27)(H,23,28)/p+1/t14-/m0/s1