4-(4-methyl-1,2,4-triazol-3-yl)-1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium

Systemtic Name: 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium Openeye Name: 4-(4-methyl-1,2,4-triazol-3-yl)-1-[[3-(3-thienyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium CAS Name: 4-(4-methyl-1,2,4-triazol-3-yl)-1-[[3-(3-thiophenyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium IUPAC Name: 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium Traditional Name: 4-(4-methyl-1,2,4-triazol-3-yl)-1-[[3-(3-thienyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium Formula: C16H21N6S+ MolecularWeight: 329.44314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2CC[NH+](CC2)CC3=CC(=NN3)C4=CSC=C4

Isomeric SMILES

CN1C=NN=C1C2CC[NH+](CC2)CC3=CC(=NN3)C4=CSC=C4

InChI

InChI=1S/C16H20N6S/c1-21-11-17-20-16(21)12-2-5-22(6-3-12)9-14-8-15(19-18-14)13-4-7-23-10-13/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,18,19)/p+1