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

Systemtic Name: 4-chloranyl-2-[7-(furan-2-yl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Openeye Name: 4-chloro-2-[7-(2-furyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol CAS Name: 4-chloro-2-[7-(2-furanyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol IUPAC Name: 4-chloro-2-[7-(furan-2-yl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Traditional Name: 4-chloro-2-[7-(2-furyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]phenol Formula: C15H14ClN2O2+ MolecularWeight: 289.73686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C=C(N1)C2=CC=CO2)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C[NH+]=C(C=C(N1)C2=CC=CO2)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C15H13ClN2O2/c16-10-3-4-14(19)11(8-10)12-9-13(18-6-5-17-12)15-2-1-7-20-15/h1-4,7-9,18-19H,5-6H2/p+1