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

Systemtic Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-6-ethoxy-phenol Openeye Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-6-ethoxy-phenol CAS Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-6-ethoxyphenol IUPAC Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-6-ethoxyphenol Traditional Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-6-ethoxy-phenol Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C2C3=CC=CN3C4=CC=CC=C4C[NH2+]2

Isomeric SMILES

CCOC1=CC=CC(=C1O)[C@@H]2C3=CC=CN3C4=CC=CC=C4C[NH2+]2

InChI

InChI=1S/C20H20N2O2/c1-2-24-18-11-5-8-15(20(18)23)19-17-10-6-12-22(17)16-9-4-3-7-14(16)13-21-19/h3-12,19,21,23H,2,13H2,1H3/p+1/t19-/m1/s1