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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,3-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dichloro-4-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,3-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=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl)Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl)Cl

InChI

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