1-[(2S)-1-(2-methoxy-5-methyl-phenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2S)-1-(2-methoxy-5-methyl-phenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-2-(2-methoxy-5-methyl-phenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(2-methoxy-5-methylphenyl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-1-(2-methoxy-5-methylphenyl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-2-(2-methoxy-5-methyl-phenyl)-1-methyl-ethyl]piperidin-1-ium-4-carboxylate Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)C(C)[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C17H23NO4/c1-11-4-5-15(22-3)14(10-11)16(19)12(2)18-8-6-13(7-9-18)17(20)21/h4-5,10,12-13H,6-9H2,1-3H3,(H,20,21)/t12-/m0/s1