1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C20H24ClN2O5S+ MolecularWeight: 439.93296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H23ClN2O5S/c1-26-18-2-4-19(5-3-18)29(24,25)23-8-6-22(7-9-23)12-15-10-17(21)11-16-13-27-14-28-20(15)16/h2-5,10-11H,6-9,12-14H2,1H3/p+1