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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dichloro-3-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dichloro-3-thiophenyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-piperonyl-piperazin-4-ium Formula: C16H17Cl2N2O4S2+ MolecularWeight: 436.35318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O4S2/c17-15-8-14(16(18)25-15)26(21,22)20-5-3-19(4-6-20)9-11-1-2-12-13(7-11)24-10-23-12/h1-2,7-8H,3-6,9-10H2/p+1