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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-[(4-chlorophenyl)thio]ethyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H21ClN3O3S2+ MolecularWeight: 414.94994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O3S2/c18-14-1-3-15(4-2-14)25-12-7-19-17-6-5-16(13-20-17)26(22,23)21-8-10-24-11-9-21/h1-6,13H,7-12H2,(H,19,20)/p+1