2-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1H-pyridazine-3,6-dione CAS Name: 2-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1H-pyridazine-3,6-quinone Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCN4C(=O)C=CC(=O)N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCN4C(=O)C=CC(=O)N4

InChI

InChI=1S/C20H24N4O4/c25-18-3-4-20(27)24(21-18)7-5-19(26)23-10-8-22(9-11-23)14-15-1-2-17-16(13-15)6-12-28-17/h1-4,13H,5-12,14H2,(H,21,25)/p+1