N-[2-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H27N5O3/c1-32-22-4-5-23-20(14-22)13-18(17-33-23)16-29-11-7-21(8-12-29)30-24(6-10-27-30)28-25(31)19-3-2-9-26-15-19/h2-6,9-10,13-15,21H,7-8,11-12,16-17H2,1H3,(H,28,31)/p+1