2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[2-(5-methyl-2-furyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[2-(5-methyl-2-furanyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[2-(5-methyl-2-furyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C19H19N5OS/c1-14-2-3-17(25-14)19-22-16(13-26-19)12-23-6-8-24(9-7-23)18-10-15(11-20)4-5-21-18/h2-5,10,13H,6-9,12H2,1H3/p+1