1-(4-aminocarbonyl-3-azanyl-5-methyl-2-phenyl-phenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium

Systemtic Name: 1-(4-aminocarbonyl-3-azanyl-5-methyl-2-phenyl-phenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 1-(3-amino-4-carbamoyl-5-methyl-2-phenyl-phenyl)propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium CAS Name: 1-(3-amino-4-carbamoyl-5-methyl-2-phenylphenyl)propyl-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl]-dimethylammonium IUPAC Name: 1-(3-amino-4-carbamoyl-5-methyl-2-phenylphenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethylazanium Traditional Name: 1-(3-amino-4-carbamoyl-5-methyl-2-phenyl-phenyl)propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium Formula: C34H43N4O2+ MolecularWeight: 539.73082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(CC)C3=CC(=C(C(=C3C4=CC=CC=C4)N)C(=O)N)C

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(CC)C3=CC(=C(C(=C3C4=CC=CC=C4)N)C(=O)N)C

InChI

InChI=1S/C34H42N4O2/c1-6-8-17-26-22-25-16-12-13-18-27(25)34(37-26)40-20-19-38(4,5)29(7-2)28-21-23(3)30(33(36)39)32(35)31(28)24-14-10-9-11-15-24/h9-16,18,21-22,29H,6-8,17,19-20H2,1-5H3,(H3-,35,36,39)/p+1