N-cyclohexyl-N-methyl-2-[(3S)-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[(3S)-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-cyclohexyl-2-[(3S)-3-(4-isopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-cyclohexyl-N-methyl-2-[(3S)-3-[5-(methylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[(3S)-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[(3S)-3-[4-isopropyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H36N5OS+ MolecularWeight: 394.59774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N5OS/c1-15(2)25-19(21-22-20(25)27-4)16-9-8-12-24(13-16)14-18(26)23(3)17-10-6-5-7-11-17/h15-17H,5-14H2,1-4H3/p+1/t16-/m0/s1