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

Systemtic Name: (3S)-1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-carboxylate Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C15H19NO4/c1-20-13-6-2-4-11(8-13)14(17)10-16-7-3-5-12(9-16)15(18)19/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,18,19)/t12-/m0/s1