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

Systemtic Name: [(4-aminocarbonyl-2-phenyl-phenyl)-phenyl-methyl]-[2-(3-butylisoquinolin-1-yl)oxyethyl]-dimethyl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[(4-carbamoyl-2-phenyl-phenyl)-phenyl-methyl]-dimethyl-ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-[(4-carbamoyl-2-phenylphenyl)-phenylmethyl]-dimethylammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-[(4-carbamoyl-2-phenylphenyl)-phenylmethyl]-dimethylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-[(4-carbamoyl-2-phenyl-phenyl)-phenyl-methyl]-dimethyl-ammonium Formula: C37H40N3O2+ MolecularWeight: 558.7324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C(C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C37H39N3O2/c1-4-5-19-31-25-29-18-12-13-20-32(29)37(39-31)42-24-23-40(2,3)35(28-16-10-7-11-17-28)33-22-21-30(36(38)41)26-34(33)27-14-8-6-9-15-27/h6-18,20-22,25-26,35H,4-5,19,23-24H2,1-3H3,(H-,38,41)/p+1