furan-3-ylmethyl-methyl-[[3-[6-(2-methylpropyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]azanium

Systemtic Name: furan-3-ylmethyl-methyl-[[3-[6-(2-methylpropyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]azanium Openeye Name: 3-furylmethyl-[[3-(6-isobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-methyl-ammonium CAS Name: 3-furanylmethyl-methyl-[[3-[6-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: furan-3-ylmethyl-methyl-[[3-[6-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: 3-furfuryl-[3-(6-isobutyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CC3=COC=C3

Isomeric SMILES

CC(C)CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CC3=COC=C3

InChI

InChI=1S/C21H25N3O2/c1-15(2)9-19-11-20(25)23-21(22-19)18-6-4-5-16(10-18)12-24(3)13-17-7-8-26-14-17/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,22,23,25)/p+1