4-[5-(2-cyanoethyl)-2,5-dimethyl-4-oxidanylidene-piperidin-1-ium-1-yl]but-2-ynyl-diethyl-azanium dichloride

Systemtic Name: 4-[5-(2-cyanoethyl)-2,5-dimethyl-4-oxidanylidene-piperidin-1-ium-1-yl]but-2-ynyl-diethyl-azanium dichloride Openeye Name: 4-[5-(2-cyanoethyl)-2,5-dimethyl-4-oxo-piperidin-1-ium-1-yl]but-2-ynyl-diethyl-ammonium dichloride CAS Name: 4-[5-(2-cyanoethyl)-2,5-dimethyl-4-oxo-1-piperidin-1-iumyl]but-2-ynyl-diethylammonium dichloride IUPAC Name: 4-[5-(2-cyanoethyl)-2,5-dimethyl-4-oxopiperidin-1-ium-1-yl]but-2-ynyl-diethylazanium dichloride Traditional Name: 4-[5-(2-cyanoethyl)-4-keto-2,5-dimethyl-piperidin-1-ium-1-yl]but-2-ynyl-diethyl-ammonium dichloride Formula: C18H31Cl2N3O MolecularWeight: 376.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CC[NH+]1CC(C(=O)CC1C)(C)CCC#N.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC#CC[NH+]1CC(C(=O)CC1C)(C)CCC#N.[Cl-].[Cl-]

InChI

InChI=1S/C18H29N3O.2ClH/c1-5-20(6-2)12-7-8-13-21-15-18(4,10-9-11-19)17(22)14-16(21)3;;/h16H,5-6,9-10,12-15H2,1-4H3;2*1H