2-[[1-oxidanidyl-1-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-1-ium-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-oxidanidyl-1-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-1-ium-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(1-benzyl-1-oxido-2,3-dihydro-1,5-benzodiazepin-1-ium-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[1-oxido-1-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-1-ium-4-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-benzyl-1-oxido-2,3-dihydro-1,5-benzodiazepin-1-ium-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1-benzyl-1-oxido-2,3-dihydro-1,5-benzodiazepin-1-ium-4-yl)methyl]isoindoline-1,3-quinone Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C3=O)(CC5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[N+](C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C3=O)(CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C25H21N3O3/c29-24-20-10-4-5-11-21(20)25(30)27(24)16-19-14-15-28(31,17-18-8-2-1-3-9-18)23-13-7-6-12-22(23)26-19/h1-13H,14-17H2