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

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-[(methylthio)methyl]benzamide Formula: C21H26ClN2OS+ MolecularWeight: 389.96194

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C21H25ClN2OS/c1-26-15-16-7-6-8-17(13-16)21(25)23-14-20(24-11-4-5-12-24)18-9-2-3-10-19(18)22/h2-3,6-10,13,20H,4-5,11-12,14-15H2,1H3,(H,23,25)/p+1/t20-/m0/s1