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

Systemtic Name: 4-methyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-methyl-N-[(1R)-3-methylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]cyclohexanecarboxamide CAS Name: 4-methyl-N-[(2R)-4-(methylthio)-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-methyl-N-[(1R)-3-(methylthio)-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]cyclohexanecarboxamide Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H34N4O2S/c1-17-6-8-18(9-7-17)21(27)24-19(10-16-29-2)22(28)26-14-12-25(13-15-26)20-5-3-4-11-23-20/h3-5,11,17-19H,6-10,12-16H2,1-2H3,(H,24,27)/p+1/t17?,18?,19-/m1/s1