7-chloranyl-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H25ClN4O2+2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C22H23ClN4O2/c23-17-2-3-18-19(12-17)24-21(25-22(18)28)14-27-8-6-26(7-9-27)13-15-1-4-20-16(11-15)5-10-29-20/h1-4,11-12H,5-10,13-14H2,(H,24,25,28)/p+2