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

Systemtic Name: 4-[(2S,5S)-5-(2-cyanoethyl)-2,5-dimethyl-4-oxidanylidene-piperidin-1-ium-1-yl]but-2-ynyl-diethyl-azanium Openeye Name: 4-[(2S,5S)-5-(2-cyanoethyl)-2,5-dimethyl-4-oxo-piperidin-1-ium-1-yl]but-2-ynyl-diethyl-ammonium CAS Name: 4-[(2S,5S)-5-(2-cyanoethyl)-2,5-dimethyl-4-oxo-1-piperidin-1-iumyl]but-2-ynyl-diethylammonium IUPAC Name: 4-[(2S,5S)-5-(2-cyanoethyl)-2,5-dimethyl-4-oxopiperidin-1-ium-1-yl]but-2-ynyl-diethylazanium Traditional Name: 4-[(2S,5S)-5-(2-cyanoethyl)-4-keto-2,5-dimethyl-piperidin-1-ium-1-yl]but-2-ynyl-diethyl-ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)CC#CC[NH+]1C[C@](C(=O)C[C@@H]1C)(C)CCC#N

InChI

InChI=1S/C18H29N3O/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/p+2/t16-,18-/m0/s1