1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one

Systemtic Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one Openeye Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one CAS Name: 1-(2-isoquinolin-2-iumyl)-3,3-dimethyl-2-butanone IUPAC Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethylbutan-2-one Traditional Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one Formula: C15H18NO+ MolecularWeight: 228.30952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C15H18NO/c1-15(2,3)14(17)11-16-9-8-12-6-4-5-7-13(12)10-16/h4-10H,11H2,1-3H3/q+1