1-[6-(4-chloranyl-3-methyl-phenoxy)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-(4-chloranyl-3-methyl-phenoxy)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(4-chloro-3-methyl-phenoxy)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(4-chloro-3-methylphenoxy)pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-(4-chloro-3-methyl-phenoxy)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C17H21ClN3O3S+ MolecularWeight: 382.88494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3S/c1-13-11-14(3-5-16(13)18)24-17-6-4-15(12-19-17)25(22,23)21-9-7-20(2)8-10-21/h3-6,11-12H,7-10H2,1-2H3/p+1