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

Systemtic Name: furan-3-ylmethyl-methyl-[[3-(4-oxidanylidene-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: 3-furylmethyl-methyl-[[3-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: 3-furanylmethyl-methyl-[[3-[4-oxo-6-(4-piperidin-1-iumyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: furan-3-ylmethyl-methyl-[[3-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: 3-furfuryl-[3-(4-keto-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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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)C4CC[NH2+]CC4

Isomeric SMILES

C[NH+](CC1=COC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

InChI

InChI=1S/C22H26N4O2/c1-26(14-17-7-10-28-15-17)13-16-3-2-4-19(11-16)22-24-20(12-21(27)25-22)18-5-8-23-9-6-18/h2-4,7,10-12,15,18,23H,5-6,8-9,13-14H2,1H3,(H,24,25,27)/p+2