1-(1,3-benzodioxol-5-ylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-phenoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-phenoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-phenoxyphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C24H25N2O5S+ MolecularWeight: 453.5307

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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)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H24N2O5S/c27-32(28,22-9-7-21(8-10-22)31-20-4-2-1-3-5-20)26-14-12-25(13-15-26)17-19-6-11-23-24(16-19)30-18-29-23/h1-11,16H,12-15,17-18H2/p+1