1-(2-methoxy-6-methylsulfonyl-phenyl)piperazin-4-ium

Systemtic Name: 1-(2-methoxy-6-methylsulfonyl-phenyl)piperazin-4-ium Openeye Name: 1-(2-methoxy-6-methylsulfonyl-phenyl)piperazin-4-ium CAS Name: 1-(2-methoxy-6-methylsulfonylphenyl)piperazin-4-ium IUPAC Name: 1-(2-methoxy-6-methylsulfonylphenyl)piperazin-4-ium Traditional Name: 1-(2-mesyl-6-methoxy-phenyl)piperazin-4-ium Formula: C12H19N2O3S+ MolecularWeight: 271.35586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)S(=O)(=O)C)N2CC[NH2+]CC2

Isomeric SMILES

COC1=C(C(=CC=C1)S(=O)(=O)C)N2CC[NH2+]CC2

InChI

InChI=1S/C12H18N2O3S/c1-17-10-4-3-5-11(18(2,15)16)12(10)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3/p+1