1-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]ethyl]piperidin-1-ium Formula: C18H31N4S+ MolecularWeight: 335.53054

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3CCCCC3

InChI

InChI=1S/C18H30N4S/c1-2-11-22-17(16-9-5-3-6-10-16)19-20-18(22)23-15-14-21-12-7-4-8-13-21/h2,16H,1,3-15H2/p+1