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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C19H21Cl2N2O5S+ MolecularWeight: 460.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H20Cl2N2O5S/c1-26-17-9-15(21)19(10-14(17)20)29(24,25)23-6-4-22(5-7-23)11-13-2-3-16-18(8-13)28-12-27-16/h2-3,8-10H,4-7,11-12H2,1H3/p+1