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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholinopyridin-1-ium-2-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(4-morpholinyl)-2-pyridin-1-iumyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholinopyridin-1-ium-2-yl)methanone Formula: C23H30N4O3+2 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=[NH+]C=CC(=C4)N5CCOCC5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=[NH+]C=CC(=C4)N5CCOCC5

InChI

InChI=1S/C23H28N4O3/c28-23(21-16-20(3-5-24-21)26-10-13-29-14-11-26)27-8-6-25(7-9-27)17-18-1-2-22-19(15-18)4-12-30-22/h1-3,5,15-16H,4,6-14,17H2/p+2