1-(4-aminocarbonyl-3-methoxy-5-methyl-2-phenyl-phenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium

Systemtic Name: 1-(4-aminocarbonyl-3-methoxy-5-methyl-2-phenyl-phenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-methoxy-5-methyl-2-phenyl-phenyl)propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-3-methoxy-5-methyl-2-phenylphenyl)propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-3-methoxy-5-methyl-2-phenylphenyl)propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-methoxy-5-methyl-2-phenyl-phenyl)propyl]-dimethyl-ammonium Formula: C35H44N3O3+ MolecularWeight: 554.74216

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=CC(=C(C(=C3C4=CC=CC=C4)OC)C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C35H43N3O3/c1-7-9-18-27-23-26-17-13-14-19-28(26)35(37-27)41-21-20-38(4,5)30(8-2)29-22-24(3)31(34(36)39)33(40-6)32(29)25-15-11-10-12-16-25/h10-17,19,22-23,30H,7-9,18,20-21H2,1-6H3,(H-,36,39)/p+1