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

Systemtic Name: furan-3-ylmethyl-methyl-[[3-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]azanium Openeye Name: 3-furylmethyl-methyl-[[3-(4-oxo-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: 3-furanylmethyl-methyl-[[3-[6-(4-oxanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: furan-3-ylmethyl-methyl-[[3-[6-(oxan-4-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: 3-furfuryl-[3-(4-keto-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=COC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCOCC4

Isomeric SMILES

C[NH+](CC1=COC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCOCC4

InChI

InChI=1S/C22H25N3O3/c1-25(14-17-5-8-28-15-17)13-16-3-2-4-19(11-16)22-23-20(12-21(26)24-22)18-6-9-27-10-7-18/h2-5,8,11-12,15,18H,6-7,9-10,13-14H2,1H3,(H,23,24,26)/p+1