AC1MIA8S

2-amino-N-[4-[(7-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide;bis(4-methylbenzenesulfonate)

Also Known As: Quinolinium, 7-amino-4-(p-(2-amino-p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-1-methyl-, di-p-toluenesulfonate|2-amino-N-[4-[(7-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate|7-Amino-4-(4-{2-amino-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamido}anilino)-1-methylquinolin-1-ium bis(4-methylbenzene-1-sulfonate)

Molecular Formula	C43H43N7O7S2
Molecular Weight	833.26654 g/mol
LogP	6.19094
Topological Polar Surface Area	227.36 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	833.26654
Monoisotopic Mass	833.26654
Heavy Atoms	59
Complexity	2728.956

Chemical Identifiers

CAS Number	53290-18-9
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)NC2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=C5C=CC(=CC5=[N+](C=C4)C)N)N