(3S)-1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(p-tolylmethylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[(4-methylbenzyl)amino]ethyl]piperidin-1-ium-3-carboxylate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)9-17-15(19)11-18-8-2-3-14(10-18)16(20)21/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,20,21)/t14-/m0/s1