N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2-(2-thenylthio)benzamide Formula: C25H29N2OS2+ MolecularWeight: 437.64056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C25H28N2OS2/c28-25(23-8-2-3-9-24(23)30-19-22-7-6-16-29-22)26-17-20-10-12-21(13-11-20)18-27-14-4-1-5-15-27/h2-3,6-13,16H,1,4-5,14-15,17-19H2,(H,26,28)/p+1