3,3-dimethylbutyl-dimethyl-[(1-oxidanylideneisoquinolin-2-yl)methyl]azanium

Systemtic Name: 3,3-dimethylbutyl-dimethyl-[(1-oxidanylideneisoquinolin-2-yl)methyl]azanium Openeye Name: 3,3-dimethylbutyl-dimethyl-[(1-oxo-2-isoquinolyl)methyl]ammonium CAS Name: 3,3-dimethylbutyl-dimethyl-[(1-oxo-2-isoquinolinyl)methyl]ammonium IUPAC Name: 3,3-dimethylbutyl-dimethyl-[(1-oxoisoquinolin-2-yl)methyl]azanium Traditional Name: 3,3-dimethylbutyl-[(1-keto-2-isoquinolyl)methyl]-dimethyl-ammonium Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC[N+](C)(C)CN1C=CC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)CC[N+](C)(C)CN1C=CC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H27N2O/c1-18(2,3)11-13-20(4,5)14-19-12-10-15-8-6-7-9-16(15)17(19)21/h6-10,12H,11,13-14H2,1-5H3/q+1