2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-(3-phenyl-1H-pyrazol-5-yl)azanium

Systemtic Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-(3-phenyl-1H-pyrazol-5-yl)azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-(3-phenyl-1H-pyrazol-5-yl)ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-dimethyl-(3-phenyl-1H-pyrazol-5-yl)ammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-(3-phenyl-1H-pyrazol-5-yl)azanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-(3-phenyl-1H-pyrazol-5-yl)ammonium Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N4O/c1-4-5-14-22-18-21-13-9-10-15-23(21)26(27-22)31-17-16-30(2,3)25-19-24(28-29-25)20-11-7-6-8-12-20/h6-13,15,18-19H,4-5,14,16-17H2,1-3H3,(H,28,29)/q+1