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

Systemtic Name: 1-(4-aminocarbonyl-3-methoxy-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-methoxy-2-phenyl-phenyl)propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-3-methoxy-2-phenylphenyl)propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-3-methoxy-2-phenylphenyl)propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-methoxy-2-phenyl-phenyl)propyl]-dimethyl-ammonium Formula: C34H42N3O3+ MolecularWeight: 540.71558

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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)OC)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)OC)C4=CC=CC=C4

InChI

InChI=1S/C34H41N3O3/c1-6-8-17-26-23-25-16-12-13-18-27(25)34(36-26)40-22-21-37(3,4)30(7-2)28-19-20-29(33(35)38)32(39-5)31(28)24-14-10-9-11-15-24/h9-16,18-20,23,30H,6-8,17,21-22H2,1-5H3,(H-,35,38)/p+1