3-methyl-2-oxidanylidene-5,6-dihydro-1H-benzo[f]quinazolin-2-ium-9-sulfonyl chloride

Systemtic Name: 3-methyl-2-oxidanylidene-5,6-dihydro-1H-benzo[f]quinazolin-2-ium-9-sulfonyl chloride Openeye Name: 3-methyl-2-oxo-5,6-dihydro-1H-benzo[f]quinazolin-2-ium-9-sulfonyl chloride CAS Name: 3-methyl-2-oxo-5,6-dihydro-1H-benzo[f]quinazolin-2-ium-9-sulfonyl chloride IUPAC Name: 3-methyl-2-oxo-5,6-dihydro-1H-benzo[f]quinazolin-2-ium-9-sulfonyl chloride Traditional Name: 2-keto-3-methyl-5,6-dihydro-1H-benzo[f]quinazolin-2-ium-9-sulfonyl chloride Formula: C13H12ClN2O3S+ MolecularWeight: 311.76398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C[N+]1=O)C3=C(CC2)C=CC(=C3)S(=O)(=O)Cl

Isomeric SMILES

CC1=NC2=C(C[N+]1=O)C3=C(CC2)C=CC(=C3)S(=O)(=O)Cl

InChI

InChI=1S/C13H12ClN2O3S/c1-8-15-13-5-3-9-2-4-10(20(14,18)19)6-11(9)12(13)7-16(8)17/h2,4,6H,3,5,7H2,1H3/q+1