3-methyl-1-(4-methylphenyl)-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 3-methyl-1-(4-methylphenyl)-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 3-methyl-2-oxido-1-(p-tolyl)isoquinolin-2-ium CAS Name: 3-methyl-1-(4-methylphenyl)-2-oxidoisoquinolin-2-ium IUPAC Name: 3-methyl-1-(4-methylphenyl)-2-oxidoisoquinolin-2-ium Traditional Name: 3-methyl-2-oxido-1-(p-tolyl)isoquinolin-2-ium Formula: C17H15NO MolecularWeight: 249.3071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC=CC=C32)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC=CC=C32)C)[O-]

InChI

InChI=1S/C17H15NO/c1-12-7-9-14(10-8-12)17-16-6-4-3-5-15(16)11-13(2)18(17)19/h3-11H,1-2H3