1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H22ClN2O4S+ MolecularWeight: 421.91768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c21-18-4-1-16(2-5-18)7-12-28(24,25)23-10-8-22(9-11-23)14-17-3-6-19-20(13-17)27-15-26-19/h1-7,12-13H,8-11,14-15H2/p+1/b12-7+