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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C18H22N4O2/c1-20-13-16(11-19-20)18(23)22-7-5-21(6-8-22)12-14-2-3-17-15(10-14)4-9-24-17/h2-3,10-11,13H,4-9,12H2,1H3/p+1