N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-15-4-5-18(27-15)14-24-11-7-17(8-12-24)25-19(6-10-22-25)23-20(26)16-3-2-9-21-13-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3,(H,23,26)/p+1