1,4-dimethyl-3-phenyl-9bH-pyrazolo[3,4-c]isoquinolin-4-ium-5-one chloride

Systemtic Name: 1,4-dimethyl-3-phenyl-9bH-pyrazolo[3,4-c]isoquinolin-4-ium-5-one chloride Openeye Name: 1,4-dimethyl-3-phenyl-9bH-pyrazolo[3,4-c]isoquinolin-4-ium-5-one chloride CAS Name: 1,4-dimethyl-3-phenyl-9bH-pyrazolo[3,4-c]isoquinolin-4-ium-5-one chloride IUPAC Name: 1,4-dimethyl-3-phenyl-9bH-pyrazolo[3,4-c]isoquinolin-4-ium-5-one chloride Traditional Name: 1,4-dimethyl-3-phenyl-9bH-pyrazol[3,4-c]isoquinolin-4-ium-5-one chloride Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=[N+](C(=O)C3=CC=CC=C3C12)C)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NN(C2=[N+](C(=O)C3=CC=CC=C3C12)C)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C18H16N3O.ClH/c1-12-16-14-10-6-7-11-15(14)18(22)20(2)17(16)21(19-12)13-8-4-3-5-9-13;/h3-11,16H,1-2H3;1H/q+1;/p-1