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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C26H27N4O4/c1-2-33-20-11-9-19(10-12-20)30-24(27-22-7-4-3-6-21(22)25(30)31)18-28-13-15-29(16-14-28)26(32)23-8-5-17-34-23/h3-12,17,21H,2,13-16,18H2,1H3/q+1