(2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(3-methoxyanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(3-methoxyanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(3-methoxyanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(m-anisidino)-2-piperidin-1-ium-1-yl-butyrate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C16H22N2O4/c1-22-13-7-5-6-12(10-13)17-15(19)11-14(16(20)21)18-8-3-2-4-9-18/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,19)(H,20,21)/t14-/m1/s1