(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H21N3O4/c1-3-28-22(27)20-16(14-8-5-7-11-18(14)29-20)12-25(2)13-19-23-17-10-6-4-9-15(17)21(26)24-19/h4-11H,3,12-13H2,1-2H3,(H,23,24,26)/p+1