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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chlorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chlorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chlorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chlorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-chlorophenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C18H20ClN2O4S+ MolecularWeight: 395.8804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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