1-[4-aminocarbonyl-6-bromanyl-2-(4-bromophenyl)-3-methyl-phenyl]propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium

Systemtic Name: 1-[4-aminocarbonyl-6-bromanyl-2-(4-bromophenyl)-3-methyl-phenyl]propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 1-[6-bromo-2-(4-bromophenyl)-4-carbamoyl-3-methyl-phenyl]propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium CAS Name: 1-[6-bromo-2-(4-bromophenyl)-4-carbamoyl-3-methylphenyl]propyl-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl]-dimethylammonium IUPAC Name: 1-[6-bromo-2-(4-bromophenyl)-4-carbamoyl-3-methylphenyl]propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethylazanium Traditional Name: 1-[6-bromo-2-(4-bromophenyl)-4-carbamoyl-3-methyl-phenyl]propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium Formula: C34H40Br2N3O2+ MolecularWeight: 682.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(CC)C3=C(C=C(C(=C3C4=CC=C(C=C4)Br)C)C(=O)N)Br

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(CC)C3=C(C=C(C(=C3C4=CC=C(C=C4)Br)C)C(=O)N)Br

InChI

InChI=1S/C34H39Br2N3O2/c1-6-8-12-26-20-24-11-9-10-13-27(24)34(38-26)41-19-18-39(4,5)30(7-2)32-29(36)21-28(33(37)40)22(3)31(32)23-14-16-25(35)17-15-23/h9-11,13-17,20-21,30H,6-8,12,18-19H2,1-5H3,(H-,37,40)/p+1