2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-sulfonamide chloride

Systemtic Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-sulfonamide chloride Openeye Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-sulfonamide chloride CAS Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-sulfonamide chloride IUPAC Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-sulfonamide chloride Traditional Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-sulfonamide chloride Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)S(=O)(=O)N)C.[Cl-]

Isomeric SMILES

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)S(=O)(=O)N)C.[Cl-]

InChI

InChI=1S/C11H13N3O2S.ClH/c1-7-5-8(2)14-11-6-9(17(12,15)16)3-4-10(11)13-7;/h3-6,14H,1-2H3,(H2,12,15,16);1H