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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=CC=CN3C4=CC=CC=C4C[NH2+]2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3=CC=CN3C4=CC=CC=C4C[NH2+]2)O

InChI

InChI=1S/C20H20N2O2/c1-2-24-19-12-14(9-10-18(19)23)20-17-8-5-11-22(17)16-7-4-3-6-15(16)13-21-20/h3-12,20-21,23H,2,13H2,1H3/p+1/t20-/m1/s1