(4-ethoxy-4-oxidanylidene-butyl)-dimethyl-[4-(4-methyl-1-phenyl-quinolin-1-ium-2-yl)sulfanylbutyl]azanium dibromide

Systemtic Name: (4-ethoxy-4-oxidanylidene-butyl)-dimethyl-[4-(4-methyl-1-phenyl-quinolin-1-ium-2-yl)sulfanylbutyl]azanium dibromide Openeye Name: (4-ethoxy-4-oxo-butyl)-dimethyl-[4-(4-methyl-1-phenyl-quinolin-1-ium-2-yl)sulfanylbutyl]ammonium dibromide CAS Name: (4-ethoxy-4-oxobutyl)-dimethyl-[4-[(4-methyl-1-phenyl-2-quinolin-1-iumyl)thio]butyl]ammonium dibromide IUPAC Name: (4-ethoxy-4-oxobutyl)-dimethyl-[4-(4-methyl-1-phenylquinolin-1-ium-2-yl)sulfanylbutyl]azanium dibromide Traditional Name: (4-ethoxy-4-keto-butyl)-dimethyl-[4-[(4-methyl-1-phenyl-quinolin-1-ium-2-yl)thio]butyl]ammonium dibromide Formula: C28H38Br2N2O2S MolecularWeight: 626.48652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+](C)(C)CCCCSC1=[N+](C2=CC=CC=C2C(=C1)C)C3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)CCC[N+](C)(C)CCCCSC1=[N+](C2=CC=CC=C2C(=C1)C)C3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C28H38N2O2S.2BrH/c1-5-32-28(31)18-13-20-30(3,4)19-11-12-21-33-27-22-23(2)25-16-9-10-17-26(25)29(27)24-14-7-6-8-15-24;;/h6-10,14-17,22H,5,11-13,18-21H2,1-4H3;2*1H/q+2;;/p-2