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

Systemtic Name: 1-(4-aminocarbonyl-2-phenyl-phenyl)octyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-2-phenyl-phenyl)octyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-2-phenylphenyl)octyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-2-phenylphenyl)octyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-2-phenyl-phenyl)octyl]-dimethyl-ammonium Formula: C38H50N3O2+ MolecularWeight: 580.8225

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=C(C=C(C=C1)C(=O)N)C2=CC=CC=C2)[N+](C)(C)CCOC3=NC(=CC4=CC=CC=C43)CCCC

Isomeric SMILES

CCCCCCCC(C1=C(C=C(C=C1)C(=O)N)C2=CC=CC=C2)[N+](C)(C)CCOC3=NC(=CC4=CC=CC=C43)CCCC

InChI

InChI=1S/C38H49N3O2/c1-5-7-9-10-14-22-36(34-24-23-31(37(39)42)28-35(34)29-17-12-11-13-18-29)41(3,4)25-26-43-38-33-21-16-15-19-30(33)27-32(40-38)20-8-6-2/h11-13,15-19,21,23-24,27-28,36H,5-10,14,20,22,25-26H2,1-4H3,(H-,39,42)/p+1