N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-[(methylthio)methyl]benzamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)CSC)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)CSC)[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2S/c1-26-20-10-8-18(9-11-20)21(24-12-3-4-13-24)15-23-22(25)19-7-5-6-17(14-19)16-27-2/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1