4-oxidanylidene-4-(7-oxidanylidene-9-phenyl-6-pyridin-1-ium-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butanoate

Systemtic Name: 4-oxidanylidene-4-(7-oxidanylidene-9-phenyl-6-pyridin-1-ium-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butanoate Openeye Name: 4-oxo-4-(7-oxo-9-phenyl-6-pyridin-1-ium-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butanoate CAS Name: 4-oxo-4-[7-oxo-9-phenyl-6-(3-pyridin-1-iumyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]butanoate IUPAC Name: 4-oxo-4-(7-oxo-9-phenyl-6-pyridin-1-ium-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butanoate Traditional Name: 4-keto-4-(7-keto-9-phenyl-6-pyridin-1-ium-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl)butyrate Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=C[NH+]=CC=C4)C(=O)CCC(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=C[NH+]=CC=C4)C(=O)CCC(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c32-24-16-20(18-7-2-1-3-8-18)15-22-27(24)28(19-9-6-14-29-17-19)31(25(33)12-13-26(34)35)23-11-5-4-10-21(23)30-22/h1-11,14,17,20,28,30H,12-13,15-16H2,(H,34,35)