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

Systemtic Name: 2-(4-aminocarbonyl-3-azanyl-2-phenyl-phenyl)propan-2-yl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: [1-(3-amino-4-carbamoyl-2-phenyl-phenyl)-1-methyl-ethyl]-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium CAS Name: 2-(3-amino-4-carbamoyl-2-phenylphenyl)propan-2-yl-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl]-dimethylammonium IUPAC Name: 2-(3-amino-4-carbamoyl-2-phenylphenyl)propan-2-yl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethylazanium Traditional Name: [1-(3-amino-4-carbamoyl-2-phenyl-phenyl)-1-methyl-ethyl]-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium Formula: C33H41N4O2+ MolecularWeight: 525.70424

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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)N)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)N)C4=CC=CC=C4

InChI

InChI=1S/C33H40N4O2/c1-6-7-16-25-22-24-15-11-12-17-26(24)32(36-25)39-21-20-37(4,5)33(2,3)28-19-18-27(31(35)38)30(34)29(28)23-13-9-8-10-14-23/h8-15,17-19,22H,6-7,16,20-21H2,1-5H3,(H3-,34,35,38)/p+1