N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: 5-morpholinosulfonyl-N-[2-(p-tolylsulfanyl)ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-[2-(p-tolylthio)ethyl]amine Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O3S2/c1-15-2-4-16(5-3-15)25-13-8-19-18-7-6-17(14-20-18)26(22,23)21-9-11-24-12-10-21/h2-7,14H,8-13H2,1H3,(H,19,20)/p+1