4-(1,3-dithian-2-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C21H27N4OS2+ MolecularWeight: 415.59528

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H26N4OS2/c1-24-9-11-25(12-10-24)19-8-7-18(15-22-19)23-20(26)16-3-5-17(6-4-16)21-27-13-2-14-28-21/h3-8,15,21H,2,9-14H2,1H3,(H,23,26)/p+1