1-(1,3-benzodioxol-5-ylmethyl)-4-[3,4-bis(fluoranyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3,4-bis(fluoranyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-difluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C18H19F2N2O4S+ MolecularWeight: 397.416266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C18H18F2N2O4S/c19-15-3-2-14(10-16(15)20)27(23,24)22-7-5-21(6-8-22)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2/p+1