1-(4-aminocarbonyl-2,3-diphenyl-phenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium

Systemtic Name: 1-(4-aminocarbonyl-2,3-diphenyl-phenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-2,3-diphenyl-phenyl)propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-2,3-diphenylphenyl)propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-2,3-diphenylphenyl)propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-2,3-diphenyl-phenyl)propyl]-dimethyl-ammonium Formula: C39H44N3O2+ MolecularWeight: 586.78556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(CC)C3=C(C(=C(C=C3)C(=O)N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(CC)C3=C(C(=C(C=C3)C(=O)N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C39H43N3O2/c1-5-7-21-31-27-30-20-14-15-22-32(30)39(41-31)44-26-25-42(3,4)35(6-2)33-23-24-34(38(40)43)37(29-18-12-9-13-19-29)36(33)28-16-10-8-11-17-28/h8-20,22-24,27,35H,5-7,21,25-26H2,1-4H3,(H-,40,43)/p+1