(3S)-1-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-16(13-7-3-2-4-8-13)14(18)11-17-9-5-6-12(10-17)15(19)20/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,19,20)/t12-/m0/s1