1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one iodide

Systemtic Name: 1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one iodide Openeye Name: 1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one iodide CAS Name: 1-ethyl-2-methyl-3-phenyl-4-quinazolin-1-iumone iodide IUPAC Name: 1-ethyl-2-methyl-3-phenylquinazolin-1-ium-4-one iodide Traditional Name: 1-ethyl-2-methyl-3-phenyl-quinazolin-1-ium-4-one iodide Formula: C17H17IN2O MolecularWeight: 392.23415

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C17H17N2O.HI/c1-3-18-13(2)19(14-9-5-4-6-10-14)17(20)15-11-7-8-12-16(15)18;/h4-12H,3H2,1-2H3;1H/q+1;/p-1