1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H23ClN2O4S/c21-18-12-17(13-19-20(18)27-11-10-26-19)14-22-6-8-23(9-7-22)28(24,25)15-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2/p+1