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

Systemtic Name: (3S)-1-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-ethoxyphenyl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-ethoxyphenyl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-keto-2-p-phenetyl-ethyl)piperidin-1-ium-3-carboxylate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-2-21-14-7-5-12(6-8-14)15(18)11-17-9-3-4-13(10-17)16(19)20/h5-8,13H,2-4,9-11H2,1H3,(H,19,20)/t13-/m0/s1