(2R)-4-(4-methylphenyl)-4-oxidanylidene-2-pyrrolidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-(4-methylphenyl)-4-oxidanylidene-2-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-oxo-4-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-methylphenyl)-4-oxo-2-(1-pyrrolidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-butyrate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C15H19NO3/c1-11-4-6-12(7-5-11)14(17)10-13(15(18)19)16-8-2-3-9-16/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)/t13-/m1/s1