N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H35N6OS+ MolecularWeight: 443.6286

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)N4CCCCC4

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)N4CCCCC4

InChI

InChI=1S/C23H34N6OS/c1-3-27-15-11-19(12-16-27)24-21(30)17-31-23-26-25-22(28-13-5-4-6-14-28)29(23)20-9-7-18(2)8-10-20/h7-10,19H,3-6,11-17H2,1-2H3,(H,24,30)/p+1