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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=CC=[NH+]C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=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/h1-14,18,23-24,26-27H,15H2/p+1