ethyl 4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-oxidopyridin-1-ium-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-oxidopyridin-1-ium-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-oxidopyridin-1-ium-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C13H17N3O4/c1-2-20-13(18)15-8-6-14(7-9-15)12(17)11-4-3-5-16(19)10-11/h3-5,10H,2,6-9H2,1H3