2-(4-methylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(p-tolylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(p-tolylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2OS/c1-17-4-10-20(11-5-17)25-16-21(24)22-14-18-6-8-19(9-7-18)15-23-12-2-3-13-23/h4-11H,2-3,12-16H2,1H3,(H,22,24)/p+1