4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol

Systemtic Name: 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Openeye Name: 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol CAS Name: 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol IUPAC Name: 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Traditional Name: 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Formula: C13H14F3N2O2+ MolecularWeight: 287.25767

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C2=[NH+]CCNC(=C2)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)O)C2=[NH+]CCNC(=C2)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O2/c1-20-8-2-3-11(19)9(6-8)10-7-12(13(14,15)16)18-5-4-17-10/h2-3,6-7,18-19H,4-5H2,1H3/p+1