(3R)-1-[(1R)-1-(3,4-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[(1R)-1-(3,4-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[(1R)-1-(3,4-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[(1R)-1-(3,4-dimethylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[(1R)-1-(3,4-dimethylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[(1R)-1-(3,4-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C[NH+]2CCCC2)N3CC(CC3=O)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C[NH+]2CCCC2)N3C[C@@H](CC3=O)C(=O)[O-])C

InChI

InChI=1S/C19H26N2O3/c1-13-5-6-15(9-14(13)2)17(12-20-7-3-4-8-20)21-11-16(19(23)24)10-18(21)22/h5-6,9,16-17H,3-4,7-8,10-12H2,1-2H3,(H,23,24)/t16-,17+/m1/s1