(3S)-1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-ium

Systemtic Name: (3S)-1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-ium Openeye Name: (3S)-1-cyclohexyl-3-(4-isopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium CAS Name: (3S)-1-cyclohexyl-3-[5-(methylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: (3S)-1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-ium Traditional Name: (3S)-1-cyclohexyl-3-[4-isopropyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C17H31N4S+ MolecularWeight: 323.51984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC)C2CCC[NH+](C2)C3CCCCC3

Isomeric SMILES

CC(C)N1C(=NN=C1SC)[C@H]2CCC[NH+](C2)C3CCCCC3

InChI

InChI=1S/C17H30N4S/c1-13(2)21-16(18-19-17(21)22-3)14-8-7-11-20(12-14)15-9-5-4-6-10-15/h13-15H,4-12H2,1-3H3/p+1/t14-/m0/s1