N-(diphenylmethyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-benzhydryl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(diphenylmethyl)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzhydryl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C29H32N5OS+ MolecularWeight: 498.66228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5OS/c35-27(30-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-36-29-32-31-26(21-33-19-11-4-12-20-33)34(29)25-17-9-3-10-18-25/h1-3,5-10,13-18,28H,4,11-12,19-22H2,(H,30,35)/p+1