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

Systemtic Name: [(1S)-1-(4-butylphenyl)-2-methyl-propyl]-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: [(1S)-1-(4-butylphenyl)-2-methyl-propyl]-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: [(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: [(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: [(1S)-1-(4-butylphenyl)-2-methyl-propyl]-[(4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C25H29N3O2/c1-4-5-8-17-11-13-18(14-12-17)22(16(2)3)26-15-21-27-23-19-9-6-7-10-20(19)30-24(23)25(29)28-21/h6-7,9-14,16,22,26H,4-5,8,15H2,1-3H3,(H,27,28,29)/p+1/t22-/m0/s1