2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]nicotinamide Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C(C=CC=N4)C(=O)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C(C=CC=N4)C(=O)N

InChI

InChI=1S/C19H22N4O2/c20-18(24)16-2-1-6-21-19(16)23-9-7-22(8-10-23)13-14-3-4-17-15(12-14)5-11-25-17/h1-4,6,12H,5,7-11,13H2,(H2,20,24)/p+1