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

Systemtic Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium chloride hydrate Openeye Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium chloride hydrate CAS Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium chloride hydrate IUPAC Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium chloride hydrate Traditional Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium chloride hydrate Formula: C11H15ClN2O MolecularWeight: 226.7026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C2N1)C.O.[Cl-]

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C2N1)C.O.[Cl-]

InChI

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