N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C23H27N5OS/c29-22(21-10-8-20(9-11-21)16-30-23-25-17-26-27-23)24-14-18-4-6-19(7-5-18)15-28-12-2-1-3-13-28/h4-11,17H,1-3,12-16H2,(H,24,29)(H,25,26,27)/p+1