1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(4-fluoranylphenoxy)ethyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(4-fluoranylphenoxy)ethyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[2-(4-fluorophenoxy)ethyl]-1-indan-2-yl-1,4-diazepan-1-ium-5-one CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-[2-(4-fluorophenoxy)ethyl]-1-indan-2-yl-1,4-diazepan-1-ium-5-one Formula: C22H26FN2O2+ MolecularWeight: 369.452443

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)C3CC4=CC=CC=C4C3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H25FN2O2/c23-19-5-7-21(8-6-19)27-14-13-25-12-11-24(10-9-22(25)26)20-15-17-3-1-2-4-18(17)16-20/h1-8,20H,9-16H2/p+1