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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-[(4-chlorophenyl)thio]ethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H23ClN3O2S2+ MolecularWeight: 412.97712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O2S2/c19-15-4-6-16(7-5-15)25-13-10-20-18-9-8-17(14-21-18)26(23,24)22-11-2-1-3-12-22/h4-9,14H,1-3,10-13H2,(H,20,21)/p+1