N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-(4-pyridylthio)acetamide Formula: C18H25N5OS+2 MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C18H23N5OS/c1-22-9-11-23(12-10-22)18-15(3-2-6-20-18)13-21-17(24)14-25-16-4-7-19-8-5-16/h2-8H,9-14H2,1H3,(H,21,24)/p+2