4-[(4-chlorophenyl)sulfanylmethyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C24H25ClN3O2S+ MolecularWeight: 454.9922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O2S/c25-21-6-8-22(9-7-21)31-17-18-1-4-20(5-2-18)24(29)27-16-19-3-10-23(26-15-19)28-11-13-30-14-12-28/h1-10,15H,11-14,16-17H2,(H,27,29)/p+1