2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-indan-5-ylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(indan-5-ylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H29N2OS+ MolecularWeight: 381.55416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H28N2OS/c26-23(17-27-22-11-10-20-4-3-5-21(20)14-22)24-15-18-6-8-19(9-7-18)16-25-12-1-2-13-25/h6-11,14H,1-5,12-13,15-17H2,(H,24,26)/p+1