[4-[6-(2,5-dimethylfuran-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-oxidanylpropyl)azanium

Systemtic Name: [4-[6-(2,5-dimethylfuran-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-oxidanylpropyl)azanium Openeye Name: [4-[6-(2,5-dimethyl-3-furyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-(3-hydroxypropyl)-methyl-ammonium CAS Name: [4-[6-(2,5-dimethyl-3-furanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-(3-hydroxypropyl)-methylammonium IUPAC Name: [4-[6-(2,5-dimethylfuran-3-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-(3-hydroxypropyl)-methylazanium Traditional Name: [4-[6-(2,5-dimethyl-3-furyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-(3-hydroxypropyl)-methyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+](C)CCCO

Isomeric SMILES

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+](C)CCCO

InChI

InChI=1S/C21H25N3O3/c1-14-11-18(15(2)27-14)19-12-20(26)23-21(22-19)17-7-5-16(6-8-17)13-24(3)9-4-10-25/h5-8,11-12,25H,4,9-10,13H2,1-3H3,(H,22,23,26)/p+1