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

Systemtic Name: furan-2-ylmethyl-methyl-[[4-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]azanium Openeye Name: 2-furylmethyl-methyl-[[4-(4-oxo-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: 2-furanylmethyl-methyl-[[4-[6-(4-oxanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[[4-[6-(oxan-4-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: 2-furfuryl-[4-(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=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=CO4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=CO4

InChI

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