(4-oxidanyl-4-oxidanylidene-butyl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium

Systemtic Name: (4-oxidanyl-4-oxidanylidene-butyl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Openeye Name: (4-hydroxy-4-oxo-butyl)-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium CAS Name: (4-hydroxy-4-oxobutyl)-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)ammonium IUPAC Name: (4-hydroxy-4-oxobutyl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Traditional Name: (4-hydroxy-4-keto-butyl)-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium Formula: C20H18N3O3+ MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)[NH2+]CCCC(=O)O)OC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)[NH2+]CCCC(=O)O)OC4=CC=CC=C43

InChI

InChI=1S/C20H17N3O3/c24-16(25)11-6-12-21-20-18-17(14-9-4-5-10-15(14)26-18)22-19(23-20)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,24,25)(H,21,22,23)/p+1