1-(2-ethoxy-5-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2-ethoxy-5-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2-ethoxy-5-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2-ethoxy-5-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H22N2O3S/c1-4-19-13-6-5-12(2)11-14(13)20(17,18)16-9-7-15(3)8-10-16/h5-6,11H,4,7-10H2,1-3H3/p+1