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

Systemtic Name: methyl-[[3-(4-oxidanylidene-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: methyl-[[3-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: methyl-[[(2R)-2-oxolanyl]methyl]-[[3-[4-oxo-6-(4-piperidin-1-iumyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: methyl-[[(2R)-oxolan-2-yl]methyl]-[[3-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: [3-(4-keto-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCCO1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

Isomeric SMILES

C[NH+](C[C@H]1CCCO1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

InChI

InChI=1S/C22H30N4O2/c1-26(15-19-6-3-11-28-19)14-16-4-2-5-18(12-16)22-24-20(13-21(27)25-22)17-7-9-23-10-8-17/h2,4-5,12-13,17,19,23H,3,6-11,14-15H2,1H3,(H,24,25,27)/p+2/t19-/m1/s1