4-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-butanamide CAS Name: 4-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxobutanamide Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butyramide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)C

InChI

InChI=1S/C25H32N2O3/c1-18-6-7-21(16-19(18)2)24(28)12-13-25(29)26-17-23(27-14-4-5-15-27)20-8-10-22(30-3)11-9-20/h6-11,16,23H,4-5,12-15,17H2,1-3H3,(H,26,29)/p+1/t23-/m0/s1