(2R)-4-(4-ethoxyphenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-(4-ethoxyphenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-ethoxyphenyl)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-ethoxyphenyl)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-ethoxyphenyl)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-2-piperidin-1-ium-1-yl-4-p-phenetyl-butyrate Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C17H23NO4/c1-2-22-14-8-6-13(7-9-14)16(19)12-15(17(20)21)18-10-4-3-5-11-18/h6-9,15H,2-5,10-12H2,1H3,(H,20,21)/t15-/m1/s1