2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium chloride dihydrate

Systemtic Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium chloride dihydrate Openeye Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium chloride dihydrate CAS Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium chloride dihydrate IUPAC Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium chloride dihydrate Traditional Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium chloride dihydrate Formula: C12H21ClN2O2 MolecularWeight: 260.76034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=[NH+]C2=C(N1)C=CC(=C2)C)C.O.O.[Cl-]

Isomeric SMILES

CC1CC(=[NH+]C2=C(N1)C=CC(=C2)C)C.O.O.[Cl-]

InChI

InChI=1S/C12H16N2.ClH.2H2O/c1-8-4-5-11-12(6-8)14-10(3)7-9(2)13-11;;;/h4-6,9,13H,7H2,1-3H3;1H;2*1H2