RefChem:349712

[1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-carbamoylpiperidin-1-ium-4-yl]-dimethylazanium dichloride

Also Known As: AC1L1QYO|RefChem:349712|C25H32N4O.2ClH.1/2H2O|C25-H32-N4-O.2Cl-H.1/2H2-O|Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, hydrochloride, hydrate (2:4:1)|[1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-carbamoylpiperidin-1-ium-4-yl]-dimethylazanium dichloride|ISONIPECOTAMIDE, 1-(3-(5H-DIBENZ(b,f)AZEPIN-5-YL)PROPYL)-4-(DIMETHYLAMINO)-, HYD

Molecular Formula	C25H34Cl2N4O
Molecular Weight	476.21097 g/mol
LogP	-5.25
Topological Polar Surface Area	55.21 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	2
Rotatable Bonds	6
Exact Mass	476.21097
Heavy Atoms	32
Complexity	889.5

Chemical Identifiers

CAS Number	28028-00-4
SMILES	C[NH+](C)C1(CC[NH+](CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)N.[Cl-].[Cl-]