4-methyl-N-[(2R)-1-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-methyl-N-[(2R)-1-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-methyl-N-[(1R)-1-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamoyl]-3-methylsulfanyl-propyl]cyclohexanecarboxamide CAS Name: 4-methyl-N-[(2R)-1-[2-(4-methyl-1-piperidin-1-iumyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-methyl-N-[(2R)-1-[2-(4-methylpiperidin-1-ium-1-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-methyl-N-[(1R)-1-[2-(4-methylpiperidin-1-ium-1-yl)ethylcarbamoyl]-3-(methylthio)propyl]cyclohexanecarboxamide Formula: C21H40N3O2S+ MolecularWeight: 398.6262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NCC[NH+]2CCC(CC2)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)NCC[NH+]2CCC(CC2)C

InChI

InChI=1S/C21H39N3O2S/c1-16-4-6-18(7-5-16)20(25)23-19(10-15-27-3)21(26)22-11-14-24-12-8-17(2)9-13-24/h16-19H,4-15H2,1-3H3,(H,22,26)(H,23,25)/p+1/t16?,18?,19-/m1/s1