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

Systemtic Name: 2-(4-aminocarbonyl-3-oxidanyl-2-phenyl-phenyl)propan-2-yl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-hydroxy-2-phenyl-phenyl)-1-methyl-ethyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[2-(4-carbamoyl-3-hydroxy-2-phenylphenyl)propan-2-yl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[2-(4-carbamoyl-3-hydroxy-2-phenylphenyl)propan-2-yl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[1-(4-carbamoyl-3-hydroxy-2-phenyl-phenyl)-1-methyl-ethyl]-dimethyl-ammonium Formula: C33H40N3O3+ MolecularWeight: 526.689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39N3O3/c1-6-7-16-25-22-24-15-11-12-17-26(24)32(35-25)39-21-20-36(4,5)33(2,3)28-19-18-27(31(34)38)30(37)29(28)23-13-9-8-10-14-23/h8-15,17-19,22H,6-7,16,20-21H2,1-5H3,(H2-,34,37,38)/p+1