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

Systemtic Name: 3-[4-(4-methylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-methylphenyl)-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-methylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-(2-piperidin-1-ium-1-ylethylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-17-7-9-19(10-8-17)26-20(18-6-5-11-22-16-18)23-24-21(26)27-15-14-25-12-3-2-4-13-25/h5-11,16H,2-4,12-15H2,1H3/p+1