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

Systemtic Name: 1-[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-15(22(30)25-19-9-7-18(8-10-19)24-16(2)28)27-13-11-17(12-14-27)23(31)26-20-5-3-4-6-21(20)29/h3-10,15,17,29H,11-14H2,1-2H3,(H,24,28)(H,25,30)(H,26,31)/p+1/t15-/m0/s1