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

Systemtic Name: 6-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Openeye Name: 6-[[4-[4-allyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoxaline CAS Name: 6-[[4-[5-(cyclohexylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]quinoxaline IUPAC Name: 6-[[4-[5-(cyclohexylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Traditional Name: 6-[[4-[4-allyl-5-(cyclohexylmethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoxaline Formula: C26H35N6S+ MolecularWeight: 463.6613

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2CCCCC2)C3CC[NH+](CC3)CC4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2CCCCC2)C3CC[NH+](CC3)CC4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C26H34N6S/c1-2-14-32-25(29-30-26(32)33-19-20-6-4-3-5-7-20)22-10-15-31(16-11-22)18-21-8-9-23-24(17-21)28-13-12-27-23/h2,8-9,12-13,17,20,22H,1,3-7,10-11,14-16,18-19H2/p+1