3-(2-chloroethyl)-2-(trichloromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(2-chloroethyl)-2-(trichloromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(2-chloroethyl)-2-(trichloromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(2-chloroethyl)-2-(trichloromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(2-chloroethyl)-2-(trichloromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(2-chloroethyl)-2-(trichloromethyl)-4aH-quinazolin-3-ium-4-one Formula: C11H9Cl4N2O+ MolecularWeight: 327.01396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)CCCl)C(Cl)(Cl)Cl)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)CCCl)C(Cl)(Cl)Cl)C=C1

InChI

InChI=1S/C11H9Cl4N2O/c12-5-6-17-9(18)7-3-1-2-4-8(7)16-10(17)11(13,14)15/h1-4,7H,5-6H2/q+1