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

Systemtic Name: 1-[4-aminocarbonyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)-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-(4-hydroxy-4-oxo-butoxy)-2-phenyl-phenyl]propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-[4-carbamoyl-3-(4-hydroxy-4-oxobutoxy)-2-phenylphenyl]propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-[4-carbamoyl-3-(4-hydroxy-4-oxobutoxy)-2-phenylphenyl]propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-[4-carbamoyl-3-(4-hydroxy-4-keto-butoxy)-2-phenyl-phenyl]propyl]-dimethyl-ammonium Formula: C37H46N3O5+ MolecularWeight: 612.77824

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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)OCCCC(=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)OCCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C37H45N3O5/c1-5-7-17-28-25-27-16-11-12-18-29(27)37(39-28)45-24-22-40(3,4)32(6-2)30-20-21-31(36(38)43)35(44-23-13-19-33(41)42)34(30)26-14-9-8-10-15-26/h8-12,14-16,18,20-21,25,32H,5-7,13,17,19,22-24H2,1-4H3,(H2-,38,41,42,43)/p+1