1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-bis(chloranyl)-4-ethoxy-phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-bis(chloranyl)-4-ethoxy-phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-4-ethoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-4-ethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-4-ethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dichloro-4-ethoxy-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H23Cl2N2O5S+ MolecularWeight: 474.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H22Cl2N2O5S/c1-2-27-18-10-16(22)20(11-15(18)21)30(25,26)24-7-5-23(6-8-24)12-14-3-4-17-19(9-14)29-13-28-17/h3-4,9-11H,2,5-8,12-13H2,1H3/p+1