N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(phenylthio)nicotinamide Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-26-12-14-27(15-13-26)20-10-9-17(16-24-20)25-21(28)19-8-5-11-23-22(19)29-18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3,(H,25,28)/p+1