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

Systemtic Name: [(2S)-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[1-(4-methyl-1-piperidin-1-iumyl)cyclohexyl]methylamino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]ethyl]ammonium Formula: C16H33N3O+2 MolecularWeight: 283.45272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31N3O/c1-13-6-10-19(11-7-13)16(8-4-3-5-9-16)12-18-15(20)14(2)17/h13-14H,3-12,17H2,1-2H3,(H,18,20)/p+2/t14-/m0/s1