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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-(p-tolylthio)ethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H24N3O2S2+ MolecularWeight: 378.53206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O2S2/c1-15-4-6-16(7-5-15)24-13-10-19-18-9-8-17(14-20-18)25(22,23)21-11-2-3-12-21/h4-9,14H,2-3,10-13H2,1H3,(H,19,20)/p+1