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

Systemtic Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxy-phenol Openeye Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxy-phenol CAS Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxyphenol IUPAC Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxyphenol Traditional Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxy-phenol Formula: C19H19N2O2+ MolecularWeight: 307.36636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=CC=CN3C4=CC=CC=C4C[NH2+]2)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2C3=CC=CN3C4=CC=CC=C4C[NH2+]2)O

InChI

InChI=1S/C19H18N2O2/c1-23-18-11-13(8-9-17(18)22)19-16-7-4-10-21(16)15-6-3-2-5-14(15)12-20-19/h2-11,19-20,22H,12H2,1H3/p+1/t19-/m1/s1