2-tert-butylsulfanyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-tert-butylsulfanyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-tert-butylsulfanyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(tert-butylthio)-N-[3-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-tert-butylsulfanyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(tert-butylthio)-N-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=CC=CC(=C1)C[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=CC=CC(=C1)C[NH+]2CCCC2

InChI

InChI=1S/C17H26N2OS/c1-17(2,3)21-13-16(20)18-15-8-6-7-14(11-15)12-19-9-4-5-10-19/h6-8,11H,4-5,9-10,12-13H2,1-3H3,(H,18,20)/p+1