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

Systemtic Name: 3-[[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[4-[4-(3-thiophenyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C17H20N5S+ MolecularWeight: 326.4392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C3=CSC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C3=CSC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C17H19N5S/c1-2-14(10-18-6-1)11-21-7-3-16(4-8-21)22-12-17(19-20-22)15-5-9-23-13-15/h1-2,5-6,9-10,12-13,16H,3-4,7-8,11H2/p+1