2-[3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one CAS Name: 2-[3-[[(2S)-2-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-(4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-28-15-19-6-3-11-26(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-/m0/s1