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

Systemtic Name: 1-(4-aminocarbonyl-3-hexyl-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-hexyl-2-phenyl-phenyl)propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-3-hexyl-2-phenylphenyl)propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-3-hexyl-2-phenylphenyl)propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-hexyl-2-phenyl-phenyl)propyl]-dimethyl-ammonium Formula: C39H52N3O2+ MolecularWeight: 594.84908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1C2=CC=CC=C2)C(CC)[N+](C)(C)CCOC3=NC(=CC4=CC=CC=C43)CCCC)C(=O)N

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1C2=CC=CC=C2)C(CC)[N+](C)(C)CCOC3=NC(=CC4=CC=CC=C43)CCCC)C(=O)N

InChI

InChI=1S/C39H51N3O2/c1-6-9-11-15-23-33-34(38(40)43)24-25-35(37(33)29-18-13-12-14-19-29)36(8-3)42(4,5)26-27-44-39-32-22-17-16-20-30(32)28-31(41-39)21-10-7-2/h12-14,16-20,22,24-25,28,36H,6-11,15,21,23,26-27H2,1-5H3,(H-,40,43)/p+1