N,N-dimethyl-2-[2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N,N-dimethyl-2-[2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N,N-dimethyl-2-[2-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N,N-dimethyl-2-[[2-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N,N-dimethyl-2-[2-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N,N-dimethyl-2-[[2-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H24N4O2S/c1-22(2)19(25)15-27-18-6-4-3-5-17(18)20(26)24-13-11-23(12-14-24)16-7-9-21-10-8-16/h3-10H,11-15H2,1-2H3/p+1