[(2S)-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[[1-(4-methyl-1-piperidin-1-iumyl)cyclohexyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylcarbamoyl]-3-(methylthio)propyl]ammonium Formula: C18H37N3OS+2 MolecularWeight: 343.57088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C18H35N3OS/c1-15-6-11-21(12-7-15)18(9-4-3-5-10-18)14-20-17(22)16(19)8-13-23-2/h15-16H,3-14,19H2,1-2H3,(H,20,22)/p+2/t16-/m0/s1