2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-3-methoxy-phenol

Systemtic Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-3-methoxy-phenol Openeye Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-3-methoxy-phenol CAS Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-3-methoxyphenol IUPAC Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-3-methoxyphenol Traditional Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-3-methoxy-phenol Formula: C19H19N2O2+ MolecularWeight: 307.36636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C2C3=CC=CN3C4=CC=CC=C4C[NH2+]2)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2/c1-23-17-10-4-9-16(22)18(17)19-15-8-5-11-21(15)14-7-3-2-6-13(14)12-20-19/h2-11,19-20,22H,12H2,1H3/p+1/t19-/m0/s1