2-[(4-methylphenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(p-tolylmethylsulfanyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NCCC[NH+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NCCC[NH+]2CCCC2

InChI

InChI=1S/C17H26N2OS/c1-15-5-7-16(8-6-15)13-21-14-17(20)18-9-4-12-19-10-2-3-11-19/h5-8H,2-4,9-14H2,1H3,(H,18,20)/p+1