ethyl (3S)-1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H24N3O4+ MolecularWeight: 310.36876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H23N3O4/c1-4-22-14(20)11-6-5-7-18(9-11)10-12-8-13(19)17(3)15(21)16(12)2/h8,11H,4-7,9-10H2,1-3H3/p+1/t11-/m0/s1