1-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(2-methoxy-5-methylphenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(2-methoxy-5-methylphenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-4-ium Formula: C12H19N2O3S+ MolecularWeight: 271.35586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH2+]CC2

InChI

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