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

Systemtic Name: 1-[4-aminocarbonyl-2-phenyl-3-(2-pyrrolidin-1-ylethoxy)phenyl]propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-[4-carbamoyl-2-phenyl-3-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-[4-carbamoyl-2-phenyl-3-[2-(1-pyrrolidinyl)ethoxy]phenyl]propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-[4-carbamoyl-2-phenyl-3-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-[4-carbamoyl-2-phenyl-3-(2-pyrrolidinoethoxy)phenyl]propyl]-dimethyl-ammonium Formula: C39H51N4O3+ MolecularWeight: 623.84724

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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)OCCN4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(CC)C3=C(C(=C(C=C3)C(=O)N)OCCN4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C39H50N4O3/c1-5-7-18-31-28-30-17-11-12-19-32(30)39(41-31)46-27-25-43(3,4)35(6-2)33-20-21-34(38(40)44)37(36(33)29-15-9-8-10-16-29)45-26-24-42-22-13-14-23-42/h8-12,15-17,19-21,28,35H,5-7,13-14,18,22-27H2,1-4H3,(H-,40,44)/p+1