3-(2-ethoxyphenyl)-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-(2-ethoxyphenyl)-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-(2-ethoxyphenyl)-2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-3-o-phenetyl-quinazolin-4-one Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C26H26N4O4/c1-2-33-22-11-6-5-10-21(22)30-24(27-20-9-4-3-8-19(20)25(30)31)18-28-13-15-29(16-14-28)26(32)23-12-7-17-34-23/h3-12,17H,2,13-16,18H2,1H3/p+1