1-methyl-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-methyl-piperazin-4-ium Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

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