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

Systemtic Name: 4-chloranyl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Openeye Name: 4-chloro-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol CAS Name: 4-chloro-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol IUPAC Name: 4-chloro-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Traditional Name: 4-chloro-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Formula: C12H11ClF3N2O+ MolecularWeight: 291.67675

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C=C(N1)C(F)(F)F)C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1C[NH+]=C(C=C(N1)C(F)(F)F)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C12H10ClF3N2O/c13-7-1-2-10(19)8(5-7)9-6-11(12(14,15)16)18-4-3-17-9/h1-2,5-6,18-19H,3-4H2/p+1