(2R)-4-(4-methylphenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-(4-methylphenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-oxo-2-piperidin-1-ium-1-yl-4-(p-tolyl)butanoate CAS Name: (2R)-4-(4-methylphenyl)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-methylphenyl)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-2-piperidin-1-ium-1-yl-4-(p-tolyl)butyrate Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C16H21NO3/c1-12-5-7-13(8-6-12)15(18)11-14(16(19)20)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m1/s1