3-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 3-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[4-[4-allyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[4-[5-(cyclohexylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[4-[4-allyl-5-(cyclohexylmethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C23H34N5S+ MolecularWeight: 412.61456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2CCCCC2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2CCCCC2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H33N5S/c1-2-13-28-22(25-26-23(28)29-18-19-7-4-3-5-8-19)21-10-14-27(15-11-21)17-20-9-6-12-24-16-20/h2,6,9,12,16,19,21H,1,3-5,7-8,10-11,13-15,17-18H2/p+1