4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzoate

Systemtic Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzoate Openeye Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzoate CAS Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzoate IUPAC Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzoate Traditional Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzoate Formula: C19H16N2O2 MolecularWeight: 304.34254

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N3C=CC=C3C([NH2+]1)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2N3C=CC=C3[C@H]([NH2+]1)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H16N2O2/c22-19(23)14-9-7-13(8-10-14)18-17-6-3-11-21(17)16-5-2-1-4-15(16)12-20-18/h1-11,18,20H,12H2,(H,22,23)/t18-/m1/s1