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

Systemtic Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]phenol Openeye Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]phenol CAS Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]phenol IUPAC Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]phenol Traditional Name: 2-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]phenol Formula: C18H17N2O+ MolecularWeight: 277.34038

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N3C=CC=C3C([NH2+]1)C4=CC=CC=C4O

Isomeric SMILES

C1C2=CC=CC=C2N3C=CC=C3[C@H]([NH2+]1)C4=CC=CC=C4O

InChI

InChI=1S/C18H16N2O/c21-17-10-4-2-7-14(17)18-16-9-5-11-20(16)15-8-3-1-6-13(15)12-19-18/h1-11,18-19,21H,12H2/p+1/t18-/m1/s1