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

Systemtic Name: 1-(3-acetamido-4-aminocarbonyl-2-phenyl-phenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 1-(3-acetamido-4-carbamoyl-2-phenyl-phenyl)propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium CAS Name: 1-(3-acetamido-4-carbamoyl-2-phenylphenyl)propyl-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl]-dimethylammonium IUPAC Name: 1-(3-acetamido-4-carbamoyl-2-phenylphenyl)propyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethylazanium Traditional Name: 1-(3-acetamido-4-carbamoyl-2-phenyl-phenyl)propyl-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-dimethyl-ammonium Formula: C35H43N4O3+ MolecularWeight: 567.74092

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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)NC(=O)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)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C35H42N4O3/c1-6-8-17-27-23-26-16-12-13-18-28(26)35(38-27)42-22-21-39(4,5)31(7-2)29-19-20-30(34(36)41)33(37-24(3)40)32(29)25-14-10-9-11-15-25/h9-16,18-20,23,31H,6-8,17,21-22H2,1-5H3,(H2-,36,37,40,41)/p+1