[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O2/c1-4-15-9-11-16(12-10-15)20(14(2)3)24-13-19-25-21-17-7-5-6-8-18(17)28-22(21)23(27)26-19/h5-12,14,20,24H,4,13H2,1-3H3,(H,25,26,27)/p+1/t20-/m0/s1