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

Systemtic Name: (3S)-1-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(2-methoxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-methoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(2-methoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(o-anisidino)ethyl]piperidin-1-ium-3-carboxylate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-21-13-7-3-2-6-12(13)16-14(18)10-17-8-4-5-11(9-17)15(19)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)(H,19,20)/t11-/m0/s1