6-(4-chlorophenyl)-3-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(2-methylphenyl)quinazolin-4-one iodide

Systemtic Name: 6-(4-chlorophenyl)-3-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(2-methylphenyl)quinazolin-4-one iodide Openeye Name: 6-(4-chlorophenyl)-3-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(o-tolyl)quinazolin-4-one iodide CAS Name: 6-(4-chlorophenyl)-3-[(1-ethyl-3-pyridin-1-iumyl)methyl]-2-(2-methylphenyl)-4-quinazolinone iodide IUPAC Name: 6-(4-chlorophenyl)-3-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(2-methylphenyl)quinazolin-4-one iodide Traditional Name: 6-(4-chlorophenyl)-3-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-(o-tolyl)quinazolin-4-one iodide Formula: C29H25ClIN3O MolecularWeight: 593.88577

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5C.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5C.[I-]

InChI

InChI=1S/C29H25ClN3O.HI/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22;/h4-18H,3,19H2,1-2H3;1H/q+1;/p-1