1-(4-chlorophenyl)-2-isoquinolin-2-ium-2-yl-3-phenyl-propane-1,3-dione

Systemtic Name: 1-(4-chlorophenyl)-2-isoquinolin-2-ium-2-yl-3-phenyl-propane-1,3-dione Openeye Name: 1-(4-chlorophenyl)-2-isoquinolin-2-ium-2-yl-3-phenyl-propane-1,3-dione CAS Name: 1-(4-chlorophenyl)-2-(2-isoquinolin-2-iumyl)-3-phenylpropane-1,3-dione IUPAC Name: 1-(4-chlorophenyl)-2-isoquinolin-2-ium-2-yl-3-phenylpropane-1,3-dione Traditional Name: 1-(4-chlorophenyl)-2-isoquinolin-2-ium-2-yl-3-phenyl-propane-1,3-dione Formula: C24H17ClNO2+ MolecularWeight: 386.85028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=C(C=C2)Cl)[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=C(C=C2)Cl)[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H17ClNO2/c25-21-12-10-19(11-13-21)24(28)22(23(27)18-7-2-1-3-8-18)26-15-14-17-6-4-5-9-20(17)16-26/h1-16,22H/q+1