(E)-1-(4-chlorophenyl)-2-isoquinolin-2-ium-2-yl-3-oxidanyl-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-chlorophenyl)-2-isoquinolin-2-ium-2-yl-3-oxidanyl-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-(4-chlorophenyl)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-(4-chlorophenyl)-3-hydroxy-2-(2-isoquinolin-2-iumyl)-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(4-chlorophenyl)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-phenylprop-2-en-1-one Traditional Name: (E)-1-(4-chlorophenyl)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-phenyl-prop-2-en-1-one Formula: C24H17ClNO2+ MolecularWeight: 386.85028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16ClNO2/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/h1-16H/p+1