2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium chloride

Systemtic Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium chloride Openeye Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium chloride CAS Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium chloride IUPAC Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium chloride Traditional Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium chloride Formula: C12H15ClN2 MolecularWeight: 222.7139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C(N2)C)C.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C(N2)C)C.[Cl-]

InChI

InChI=1S/C12H14N2.ClH/c1-8-4-5-11-12(6-8)14-10(3)7-9(2)13-11;/h4-7,14H,1-3H3;1H