4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C25H30N2O3+2 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)C

InChI

InChI=1S/C25H28N2O3/c1-17-3-5-22-21(14-24(28)30-25(22)18(17)2)16-27-10-8-26(9-11-27)15-19-4-6-23-20(13-19)7-12-29-23/h3-6,13-14H,7-12,15-16H2,1-2H3/p+2