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

Systemtic Name: 1-[6-(3,5-dimethylphenoxy)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(3,5-dimethylphenoxy)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(3,5-dimethylphenoxy)pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-(3,5-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(=CC(=C1)OC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

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

InChI

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