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

Systemtic Name: 1-(4-aminocarbonyl-3-methyl-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-methyl-2-phenyl-phenyl)propyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[1-(4-carbamoyl-3-methyl-2-phenylphenyl)propyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[1-(4-carbamoyl-3-methyl-2-phenylphenyl)propyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-methyl-2-phenyl-phenyl)propyl]-dimethyl-ammonium Formula: C34H42N3O2+ MolecularWeight: 524.71618

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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)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)C)C4=CC=CC=C4

InChI

InChI=1S/C34H41N3O2/c1-6-8-17-27-23-26-16-12-13-18-29(26)34(36-27)39-22-21-37(4,5)31(7-2)30-20-19-28(33(35)38)24(3)32(30)25-14-10-9-11-15-25/h9-16,18-20,23,31H,6-8,17,21-22H2,1-5H3,(H-,35,38)/p+1