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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: 5-(1-piperidylsulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (5-piperidinosulfonylpyridin-1-ium-2-yl)-[2-(p-tolylthio)ethyl]amine Formula: C19H26N3O2S2+ MolecularWeight: 392.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25N3O2S2/c1-16-5-7-17(8-6-16)25-14-11-20-19-10-9-18(15-21-19)26(23,24)22-12-3-2-4-13-22/h5-10,15H,2-4,11-14H2,1H3,(H,20,21)/p+1