N-[2-(1-methylpiperidin-1-ium-4-yl)-1H-pyrazol-2-ium-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1-methylpiperidin-1-ium-4-yl)-1H-pyrazol-2-ium-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1-methylpiperidin-1-ium-4-yl)-1H-pyrazol-2-ium-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-methyl-4-piperidin-1-iumyl)-1H-pyrazol-2-ium-3-yl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1-methylpiperidin-1-ium-4-yl)-1H-pyrazol-2-ium-3-yl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(1-methylpiperidin-1-ium-4-yl)-1H-pyrazol-2-ium-3-yl]-2-(phenylthio)nicotinamide Formula: C21H25N5OS+2 MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[N+]2=C(C=CN2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[N+]2=C(C=CN2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-25-14-10-16(11-15-25)26-19(9-13-23-26)24-20(27)18-8-5-12-22-21(18)28-17-6-3-2-4-7-17/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,23,24,27)/p+2