methyl-[3-(6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]azanium chloride

Systemtic Name: methyl-[3-(6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]azanium chloride Openeye Name: methyl-[3-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]ammonium chloride CAS Name: methyl-[3-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]ammonium chloride IUPAC Name: methyl-[3-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]azanium chloride Traditional Name: 3-(6-keto-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl-methyl-ammonium chloride Formula: C17H20ClN3O MolecularWeight: 317.8132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31.[Cl-]

Isomeric SMILES

C[NH2+]CCCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31.[Cl-]

InChI

InChI=1S/C17H19N3O.ClH/c1-18-11-6-12-20-15-9-4-2-7-13(15)17(21)19-14-8-3-5-10-16(14)20;/h2-5,7-10,18H,6,11-12H2,1H3,(H,19,21);1H