ethyl (3S)-1-[[6-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[6-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[6-oxo-3-(1H-pyrimidin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[6-keto-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C3NC=CC=N3)C=CC2=O

InChI

InChI=1S/C19H23N3O3/c1-2-25-19(24)15-5-3-10-22(12-15)13-16-11-14(6-7-17(16)23)18-20-8-4-9-21-18/h4,6-9,11,15,20H,2-3,5,10,12-13H2,1H3/p+1/t15-/m0/s1