[3-[6-(furan-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(1S)-1-pyridin-2-ylethyl]azanium

Systemtic Name: [3-[6-(furan-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(1S)-1-pyridin-2-ylethyl]azanium Openeye Name: [3-[6-(3-furyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(1S)-1-(2-pyridyl)ethyl]ammonium CAS Name: [3-[6-(3-furanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(1S)-1-(2-pyridinyl)ethyl]ammonium IUPAC Name: [3-[6-(furan-3-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(1S)-1-pyridin-2-ylethyl]azanium Traditional Name: [3-[6-(3-furyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-[(1S)-1-(2-pyridyl)ethyl]ammonium Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)[NH+](C)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=COC=C4

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)[NH+](C)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=COC=C4

InChI

InChI=1S/C23H22N4O2/c1-16(20-8-3-4-10-24-20)27(2)14-17-6-5-7-18(12-17)23-25-21(13-22(28)26-23)19-9-11-29-15-19/h3-13,15-16H,14H2,1-2H3,(H,25,26,28)/p+1/t16-/m0/s1