4-butyl-3-[(2-methylpropan-2-yl)oxy]-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 4-butyl-3-[(2-methylpropan-2-yl)oxy]-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 3-tert-butoxy-4-butyl-2-oxido-isoquinolin-2-ium CAS Name: 4-butyl-3-[(2-methylpropan-2-yl)oxy]-2-oxidoisoquinolin-2-ium IUPAC Name: 4-butyl-3-[(2-methylpropan-2-yl)oxy]-2-oxidoisoquinolin-2-ium Traditional Name: 3-tert-butoxy-4-butyl-2-oxido-isoquinolin-2-ium Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+](=CC2=CC=CC=C21)[O-])OC(C)(C)C

Isomeric SMILES

CCCCC1=C([N+](=CC2=CC=CC=C21)[O-])OC(C)(C)C

InChI

InChI=1S/C17H23NO2/c1-5-6-10-15-14-11-8-7-9-13(14)12-18(19)16(15)20-17(2,3)4/h7-9,11-12H,5-6,10H2,1-4H3