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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-[(4-chlorophenyl)thio]ethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H21ClN3O2S2+ MolecularWeight: 398.95054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O2S2/c18-14-3-5-15(6-4-14)24-12-9-19-17-8-7-16(13-20-17)25(22,23)21-10-1-2-11-21/h3-8,13H,1-2,9-12H2,(H,19,20)/p+1