CTK9A4812

2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium chloride

Also Known As: 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]ethyl]-N,N-dimethyl-, chloride|1-Propanaminium,3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl-,chloride (1:1)|2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium,chloride|3-({2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}oxy)-N-[2-({2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}oxy)ethyl]-N,N-dimethylpropan-1-aminium chloride

Molecular Formula	C35H46ClN5O4
Molecular Weight	635.32385 g/mol
LogP	2.45006
Topological Polar Surface Area	107.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	19
Exact Mass	635.32385
Monoisotopic Mass	635.32385
Heavy Atoms	45
Complexity	1060.0

Chemical Identifiers

CAS Number	78181-99-4
SMILES	CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C(=CC2=CC=C(C=C2)N(CC)CC)C#N.[Cl-]
InChIKey	DLNMMVNCTSAPOW-UHFFFAOYSA-M