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

Systemtic Name: 1-(4-aminocarbonyl-2-phenyl-phenyl)pentyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-2-phenyl-phenyl)pentyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-2-phenylphenyl)pentyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-2-phenylphenyl)pentyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-2-phenyl-phenyl)pentyl]-dimethyl-ammonium Formula: C35H44N3O2+ MolecularWeight: 538.74276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43N3O2/c1-5-7-17-29-24-27-16-12-13-18-30(27)35(37-29)40-23-22-38(3,4)33(19-8-6-2)31-21-20-28(34(36)39)25-32(31)26-14-10-9-11-15-26/h9-16,18,20-21,24-25,33H,5-8,17,19,22-23H2,1-4H3,(H-,36,39)/p+1