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1-methylsulfonyl-4-(phenylmethyl)piperazin-4-ium chloride

1-methylsulfonyl-4-(phenylmethyl)piperazin-4-ium chloride

Systemtic Name:1-methylsulfonyl-4-(phenylmethyl)piperazin-4-ium chloride
Openeye Name:1-benzyl-4-methylsulfonyl-piperazin-1-ium chloride
CAS Name:1-methylsulfonyl-4-(phenylmethyl)piperazin-4-ium chloride
IUPAC Name:1-benzyl-4-methylsulfonylpiperazin-1-ium chloride
Traditional Name:1-benzyl-4-mesyl-piperazin-1-ium chloride
Formula: C12H19ClN2O2S
MolecularWeight: 290.80946
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2.[Cl-]


Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2.[Cl-]


InChI

InChI=1S/C12H18N2O2S.ClH/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H


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