2-[5-methyl-2,4-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-2,4-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxymethyl)-5-methyl-2,4-dioxo-1H-pyrimidin-3-ium-3-yl]acetic acid CAS Name: 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]acetic acid IUPAC Name: 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]acetic acid Traditional Name: 2-[3-(benzoxymethyl)-2,4-diketo-5-methyl-1H-pyrimidin-3-ium-3-yl]acetic acid Formula: C15H17N2O5+ MolecularWeight: 305.30588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)[N+](C1=O)(CC(=O)O)COCC2=CC=CC=C2

Isomeric SMILES

CC1=CNC(=O)[N+](C1=O)(CC(=O)O)COCC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O5/c1-11-7-16-15(21)17(14(11)20,8-13(18)19)10-22-9-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H-,16,18,19,20,21)/p+1