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

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[(2R)-2-(2-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=CC=C1C(CNC(=O)C2=CC(=CC=C2)CSC)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-26-21-11-4-3-10-19(21)20(24-12-5-6-13-24)15-23-22(25)18-9-7-8-17(14-18)16-27-2/h3-4,7-11,14,20H,5-6,12-13,15-16H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1