(2R)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C17H23N3O4/c1-12(21)18-13-5-7-14(8-6-13)19-16(22)11-15(17(23)24)20-9-3-2-4-10-20/h5-8,15H,2-4,9-11H2,1H3,(H,18,21)(H,19,22)(H,23,24)/t15-/m1/s1