11-[3-(dimethylamino)propyl]-11-oxidanidyl-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one

Systemtic Name: 11-[3-(dimethylamino)propyl]-11-oxidanidyl-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one Openeye Name: 11-[3-(dimethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one CAS Name: 11-[3-(dimethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one IUPAC Name: 11-[3-(dimethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one Traditional Name: 11-[3-(dimethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[N+]1(C2=CC=CC=C2C(=O)NC3=CC=CC=C31)[O-]

Isomeric SMILES

CN(C)CCC[N+]1(C2=CC=CC=C2C(=O)NC3=CC=CC=C31)[O-]

InChI

InChI=1S/C18H21N3O2/c1-20(2)12-7-13-21(23)16-10-5-3-8-14(16)18(22)19-15-9-4-6-11-17(15)21/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,22)