9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one chloride

Systemtic Name: 9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one chloride Openeye Name: 9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one chloride CAS Name: 9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one chloride IUPAC Name: 9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one chloride Traditional Name: 9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one chloride Formula: C15H17ClN2O MolecularWeight: 276.76128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=[NH+]C3=CC=CC=C3N2)C(=O)C1)C.[Cl-]

Isomeric SMILES

CC1(CC2=C(C=[NH+]C3=CC=CC=C3N2)C(=O)C1)C.[Cl-]

InChI

InChI=1S/C15H16N2O.ClH/c1-15(2)7-13-10(14(18)8-15)9-16-11-5-3-4-6-12(11)17-13;/h3-6,9,17H,7-8H2,1-2H3;1H