2,4-dimethyl-1H-1,5-benzodiazepin-1-ium chloride dihydrate

Systemtic Name: 2,4-dimethyl-1H-1,5-benzodiazepin-1-ium chloride dihydrate Openeye Name: 2,4-dimethyl-1H-1,5-benzodiazepin-1-ium chloride dihydrate CAS Name: 2,4-dimethyl-1H-1,5-benzodiazepin-1-ium chloride dihydrate IUPAC Name: 2,4-dimethyl-1H-1,5-benzodiazepin-1-ium chloride dihydrate Traditional Name: 2,4-dimethyl-1H-1,5-benzodiazepin-1-ium chloride dihydrate Formula: C11H17ClN2O2 MolecularWeight: 244.71788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C2[NH2+]1)C.O.O.[Cl-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C2[NH2+]1)C.O.O.[Cl-]

InChI

InChI=1S/C11H12N2.ClH.2H2O/c1-8-7-9(2)13-11-6-4-3-5-10(11)12-8;;;/h3-7,12H,1-2H3;1H;2*1H2