(4-aminocarbonyl-1,2-diphenyl-cyclopentyl)-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium

Systemtic Name: (4-aminocarbonyl-1,2-diphenyl-cyclopentyl)-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-(4-carbamoyl-1,2-diphenyl-cyclopentyl)-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-(4-carbamoyl-1,2-diphenylcyclopentyl)-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-(4-carbamoyl-1,2-diphenylcyclopentyl)-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-(4-carbamoyl-1,2-diphenyl-cyclopentyl)-dimethyl-ammonium Formula: C35H42N3O2+ MolecularWeight: 536.72688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C3(CC(CC3C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C3(CC(CC3C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C35H41N3O2/c1-4-5-19-30-23-27-16-12-13-20-31(27)34(37-30)40-22-21-38(2,3)35(29-17-10-7-11-18-29)25-28(33(36)39)24-32(35)26-14-8-6-9-15-26/h6-18,20,23,28,32H,4-5,19,21-22,24-25H2,1-3H3,(H-,36,39)/p+1