N-phenyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-phenyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: N-phenyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: N-phenyl-4-[[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-phenyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: N-phenyl-4-[[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C28H30N5OS+ MolecularWeight: 484.6357

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N5OS/c34-27(29-24-10-4-1-5-11-24)23-16-14-22(15-17-23)21-35-28-31-30-26(20-32-18-8-3-9-19-32)33(28)25-12-6-2-7-13-25/h1-2,4-7,10-17H,3,8-9,18-21H2,(H,29,34)/p+1