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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H24N4O2/c28-23(19-3-5-21(6-4-19)27-10-1-9-24-27)26-13-11-25(12-14-26)17-18-2-7-22-20(16-18)8-15-29-22/h1-7,9-10,16H,8,11-15,17H2/p+1