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

Systemtic Name: 1-[4-aminocarbonyl-3-(carboxymethyloxy)-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-(carboxymethyloxy)-2-phenyl-phenyl]propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-[4-carbamoyl-3-(carboxymethyloxy)-2-phenylphenyl]propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-[4-carbamoyl-3-(carboxymethyloxy)-2-phenylphenyl]propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-[4-carbamoyl-3-(carboxymethyloxy)-2-phenyl-phenyl]propyl]-dimethyl-ammonium Formula: C35H42N3O5+ MolecularWeight: 584.72508

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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)OCC(=O)O)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)OCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C35H41N3O5/c1-5-7-16-26-22-25-15-11-12-17-27(25)35(37-26)42-21-20-38(3,4)30(6-2)28-18-19-29(34(36)41)33(43-23-31(39)40)32(28)24-13-9-8-10-14-24/h8-15,17-19,22,30H,5-7,16,20-21,23H2,1-4H3,(H2-,36,39,40,41)/p+1