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

Systemtic Name: 1-[4-aminocarbonyl-3-(2-azanylethoxy)-2-phenyl-phenyl]propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 1-[3-(2-aminoethoxy)-4-carbamoyl-2-phenyl-phenyl]propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium CAS Name: 1-[3-(2-aminoethoxy)-4-carbamoyl-2-phenylphenyl]propyl-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl]-dimethylammonium IUPAC Name: 1-[3-(2-aminoethoxy)-4-carbamoyl-2-phenylphenyl]propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethylazanium Traditional Name: 1-[3-(2-aminoethoxy)-4-carbamoyl-2-phenyl-phenyl]propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium Formula: C35H45N4O3+ MolecularWeight: 569.7568

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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)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)C4=CC=CC=C4

InChI

InChI=1S/C35H44N4O3/c1-5-7-16-27-24-26-15-11-12-17-28(26)35(38-27)42-23-21-39(3,4)31(6-2)29-18-19-30(34(37)40)33(41-22-20-36)32(29)25-13-9-8-10-14-25/h8-15,17-19,24,31H,5-7,16,20-23,36H2,1-4H3,(H-,37,40)/p+1