6-[2-(4-methylphenyl)sulfanylethylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[2-(4-methylphenyl)sulfanylethylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[2-(p-tolylsulfanyl)ethylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[2-[(4-methylphenyl)thio]ethylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[2-(4-methylphenyl)sulfanylethylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[2-(p-tolylthio)ethylamino]pyridin-1-ium-3-sulfonamide Formula: C14H18N3O2S2+ MolecularWeight: 324.44162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C14H17N3O2S2/c1-11-2-4-12(5-3-11)20-9-8-16-14-7-6-13(10-17-14)21(15,18)19/h2-7,10H,8-9H2,1H3,(H,16,17)(H2,15,18,19)/p+1