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

Systemtic Name: 1-(4-aminocarbonyl-3-ethyl-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-ethyl-2-phenyl-phenyl)propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-3-ethyl-2-phenylphenyl)propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-3-ethyl-2-phenylphenyl)propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-ethyl-2-phenyl-phenyl)propyl]-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(CC)C3=C(C(=C(C=C3)C(=O)N)CC)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)CC)C4=CC=CC=C4

InChI

InChI=1S/C35H43N3O2/c1-6-9-18-27-24-26-17-13-14-19-29(26)35(37-27)40-23-22-38(4,5)32(8-3)31-21-20-30(34(36)39)28(7-2)33(31)25-15-11-10-12-16-25/h10-17,19-21,24,32H,6-9,18,22-23H2,1-5H3,(H-,36,39)/p+1