9-phenyl-6-pyridin-1-ium-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-phenyl-6-pyridin-1-ium-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-phenyl-6-pyridin-1-ium-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-phenyl-6-(4-pyridin-1-iumyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-phenyl-6-pyridin-1-ium-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-phenyl-6-pyridin-1-ium-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C24H22N3O+ MolecularWeight: 368.45098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=[NH+]C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=[NH+]C=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O/c28-22-15-18(16-6-2-1-3-7-16)14-21-23(22)24(17-10-12-25-13-11-17)27-20-9-5-4-8-19(20)26-21/h1-13,18,24,26-27H,14-15H2/p+1