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

Systemtic Name: 1-(4-aminocarbonyl-3-oxidanyl-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-hydroxy-2-phenyl-phenyl)propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-3-hydroxy-2-phenylphenyl)propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-3-hydroxy-2-phenylphenyl)propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-hydroxy-2-phenyl-phenyl)propyl]-dimethyl-ammonium Formula: C33H40N3O3+ MolecularWeight: 526.689

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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)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)O)C4=CC=CC=C4

InChI

InChI=1S/C33H39N3O3/c1-5-7-16-25-22-24-15-11-12-17-26(24)33(35-25)39-21-20-36(3,4)29(6-2)27-18-19-28(32(34)38)31(37)30(27)23-13-9-8-10-14-23/h8-15,17-19,22,29H,5-7,16,20-21H2,1-4H3,(H2-,34,37,38)/p+1