2-(2-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(o-tolylsulfanyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(o-tolylthio)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2OS/c1-17-8-2-5-11-20(17)25-16-21(24)22-14-18-9-3-4-10-19(18)15-23-12-6-7-13-23/h2-5,8-11H,6-7,12-16H2,1H3,(H,22,24)/p+1