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

Systemtic Name: (3S)-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-methylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(p-toluidino)ethyl]piperidin-1-ium-3-carboxylate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-11-4-6-13(7-5-11)16-14(18)10-17-8-2-3-12(9-17)15(19)20/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1