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

Systemtic Name: 1-[4-aminocarbonyl-3-(2-dimethylaminoethyloxy)-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-(2-dimethylaminoethyloxy)-2-phenyl-phenyl]propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-[4-carbamoyl-3-(2-dimethylaminoethyloxy)-2-phenylphenyl]propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-[4-carbamoyl-3-(2-dimethylaminoethyloxy)-2-phenylphenyl]propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-[4-carbamoyl-3-(2-dimethylaminoethyloxy)-2-phenyl-phenyl]propyl]-dimethyl-ammonium Formula: C37H49N4O3+ MolecularWeight: 597.80996

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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)OCCN(C)C)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)OCCN(C)C)C4=CC=CC=C4

InChI

InChI=1S/C37H48N4O3/c1-7-9-18-29-26-28-17-13-14-19-30(28)37(39-29)44-25-23-41(5,6)33(8-2)31-20-21-32(36(38)42)35(43-24-22-40(3)4)34(31)27-15-11-10-12-16-27/h10-17,19-21,26,33H,7-9,18,22-25H2,1-6H3,(H-,38,42)/p+1