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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazin-1-ium chloride Openeye Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium chloride CAS Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium chloride IUPAC Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium chloride Traditional Name: 1-besyl-4-piperonyl-piperazin-4-ium chloride Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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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/C18H20N2O4S.ClH/c21-25(22,16-4-2-1-3-5-16)20-10-8-19(9-11-20)13-15-6-7-17-18(12-15)24-14-23-17;/h1-7,12H,8-11,13-14H2;1H