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

Systemtic Name: 1-[4-aminocarbonyl-3-(dimethylaminomethyl)-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-(dimethylaminomethyl)-2-phenyl-phenyl]propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-[4-carbamoyl-3-(dimethylaminomethyl)-2-phenylphenyl]propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-[4-carbamoyl-3-(dimethylaminomethyl)-2-phenylphenyl]propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-[4-carbamoyl-3-(dimethylaminomethyl)-2-phenyl-phenyl]propyl]-dimethyl-ammonium Formula: C36H47N4O2+ MolecularWeight: 567.78398

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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=C3)C(=O)N)CN(C)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C36H46N4O2/c1-7-9-18-28-24-27-17-13-14-19-29(27)36(38-28)42-23-22-40(5,6)33(8-2)31-21-20-30(35(37)41)32(25-39(3)4)34(31)26-15-11-10-12-16-26/h10-17,19-21,24,33H,7-9,18,22-23,25H2,1-6H3,(H-,37,41)/p+1