1-[6-(2,5-dimethylphenoxy)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-(2,5-dimethylphenoxy)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(2,5-dimethylphenoxy)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(2,5-dimethylphenoxy)pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-(2,5-dimethylphenoxy)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H23N3O3S/c1-14-4-5-15(2)17(12-14)24-18-7-6-16(13-19-18)25(22,23)21-10-8-20(3)9-11-21/h4-7,12-13H,8-11H2,1-3H3/p+1