N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(3-thienylmethylsulfanyl)benzamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-(3-thiophenylmethylthio)benzamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2-(3-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=CSC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CSC=C4

InChI

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