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

Systemtic Name: furan-2-ylmethyl-methyl-[[4-[4-oxidanylidene-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-2-yl]phenyl]methyl]azanium Openeye Name: 2-furylmethyl-methyl-[[4-[4-oxo-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-2-yl]phenyl]methyl]ammonium CAS Name: 2-furanylmethyl-methyl-[[4-[4-oxo-6-[(3S)-3-piperidin-1-iumyl]-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[[4-[4-oxo-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: 2-furfuryl-[4-[4-keto-6-[(3S)-piperidin-1-ium-3-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=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCC[NH2+]C3)CC4=CC=CO4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)[C@H]3CCC[NH2+]C3)CC4=CC=CO4

InChI

InChI=1S/C22H26N4O2/c1-26(15-19-5-3-11-28-19)14-16-6-8-17(9-7-16)22-24-20(12-21(27)25-22)18-4-2-10-23-13-18/h3,5-9,11-12,18,23H,2,4,10,13-15H2,1H3,(H,24,25,27)/p+2/t18-/m0/s1