1-azabicyclo[4.2.0]oct-2-en-3-ylmethyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-methyl-prop-2-enyl-azanium

Systemtic Name: 1-azabicyclo[4.2.0]oct-2-en-3-ylmethyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-methyl-prop-2-enyl-azanium Openeye Name: allyl-(1-azabicyclo[4.2.0]oct-2-en-3-ylmethyl)-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-methyl-ammonium CAS Name: 1-azabicyclo[4.2.0]oct-2-en-3-ylmethyl-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl]-methyl-prop-2-enylammonium IUPAC Name: 1-azabicyclo[4.2.0]oct-2-en-3-ylmethyl-[2-(3-butylisoquinolin-1-yl)oxyethyl]-methyl-prop-2-enylazanium Traditional Name: allyl-(1-azabicyclo[4.2.0]oct-2-en-3-ylmethyl)-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl]-methyl-ammonium Formula: C27H38N3O+ MolecularWeight: 420.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(CC=C)CC3=CN4CCC4CC3

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(CC=C)CC3=CN4CCC4CC3

InChI

InChI=1S/C27H38N3O/c1-4-6-10-24-19-23-9-7-8-11-26(23)27(28-24)31-18-17-30(3,16-5-2)21-22-12-13-25-14-15-29(25)20-22/h5,7-9,11,19-20,25H,2,4,6,10,12-18,21H2,1,3H3/q+1