1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-diethoxyphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C22H29N2O6S+ MolecularWeight: 449.54046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N2O6S/c1-3-27-18-6-8-20(28-4-2)22(14-18)31(25,26)24-11-9-23(10-12-24)15-17-5-7-19-21(13-17)30-16-29-19/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3/p+1