2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(4-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-ammonium Formula: C22H27FN3O5S+ MolecularWeight: 464.530283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O5S/c1-24(15-17-2-7-20-21(14-17)31-13-12-30-20)16-22(27)25-8-10-26(11-9-25)32(28,29)19-5-3-18(23)4-6-19/h2-7,14H,8-13,15-16H2,1H3/p+1