3-[4-(2,3-dimethylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2,3-dimethylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2,3-dimethylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,3-dimethylphenyl)-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2,3-dimethylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2,3-dimethylphenyl)-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC[NH+]3CCCCC3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC[NH+]3CCCCC3)C4=CN=CC=C4)C

InChI

InChI=1S/C22H27N5S/c1-17-8-6-10-20(18(17)2)27-21(19-9-7-11-23-16-19)24-25-22(27)28-15-14-26-12-4-3-5-13-26/h6-11,16H,3-5,12-15H2,1-2H3/p+1