6-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H26N4O3/c1-21-17(12-19(25)22(2)20(21)26)14-24-8-6-23(7-9-24)13-15-3-4-18-16(11-15)5-10-27-18/h3-4,11-12H,5-10,13-14H2,1-2H3/p+1