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

Systemtic Name: 4-[4-cyclohexyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-cyclohexyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-cyclohexyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-cyclohexyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-cyclohexyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C20H30N5S+ MolecularWeight: 372.5507

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC[NH+]3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC[NH+]3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C20H29N5S/c1-3-7-18(8-4-1)25-19(17-9-11-21-12-10-17)22-23-20(25)26-16-15-24-13-5-2-6-14-24/h9-12,18H,1-8,13-16H2/p+1