N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S/c21-16-3-1-15(2-4-16)13-23-11-9-17(10-12-23)22-20(25)14-28-19-7-5-18(6-8-19)24(26)27/h1-8,17H,9-14H2,(H,22,25)/p+1