1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazin-1-ium chloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-piperonyl-piperazin-4-ium chloride Formula: C18H20Cl2N2O4S MolecularWeight: 431.3334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O4S.ClH/c19-15-2-4-16(5-3-15)26(22,23)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)25-13-24-17;/h1-6,11H,7-10,12-13H2;1H