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

Systemtic Name: 11-[3-(diethylamino)propyl]-11-oxidanidyl-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one Openeye Name: 11-[3-(diethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one CAS Name: 11-[3-(diethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one IUPAC Name: 11-[3-(diethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one Traditional Name: 11-[3-(diethylamino)propyl]-11-oxido-5H-benzo[b][1,4]benzodiazepin-11-ium-6-one Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-3-22(4-2)14-9-15-23(25)18-12-7-5-10-16(18)20(24)21-17-11-6-8-13-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,21,24)