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

Systemtic Name: (2R)-4-(4-cyclohexylphenyl)-4-oxidanylidene-2-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-cyclohexylphenyl)-4-oxo-2-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-cyclohexylphenyl)-4-oxo-2-(1-pyrrolidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-cyclohexylphenyl)-4-oxo-2-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-cyclohexylphenyl)-4-keto-2-pyrrolidin-1-ium-1-yl-butyrate Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])[NH+]3CCCC3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@H](C(=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C20H27NO3/c22-19(14-18(20(23)24)21-12-4-5-13-21)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h8-11,15,18H,1-7,12-14H2,(H,23,24)/t18-/m1/s1