2-[4-[3,4-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C17H24F2N3O3S+ MolecularWeight: 388.452566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H23F2N3O3S/c18-15-5-4-14(12-16(15)19)26(24,25)22-9-3-6-20(10-11-22)13-17(23)21-7-1-2-8-21/h4-5,12H,1-3,6-11,13H2/p+1