2-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]-6-methyl-pyridine

Systemtic Name: 2-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]-6-methyl-pyridine Openeye Name: 2-[[4-[4-allyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]-6-methyl-pyridine CAS Name: 2-[[4-[5-(cyclohexylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]-6-methylpyridine IUPAC Name: 2-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]-6-methylpyridine Traditional Name: 2-[[4-[4-allyl-5-(cyclohexylmethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]-6-methyl-pyridine Formula: C24H36N5S+ MolecularWeight: 426.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)C3=NN=C(N3CC=C)SCC4CCCCC4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)C3=NN=C(N3CC=C)SCC4CCCCC4

InChI

InChI=1S/C24H35N5S/c1-3-14-29-23(26-27-24(29)30-18-20-9-5-4-6-10-20)21-12-15-28(16-13-21)17-22-11-7-8-19(2)25-22/h3,7-8,11,20-21H,1,4-6,9-10,12-18H2,2H3/p+1