[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C17H21N3O5/c21-15(12-25-16(22)14-7-10-20(24)11-8-14)19-17(23)18-9-6-13-4-2-1-3-5-13/h4,7-8,10-11H,1-3,5-6,9,12H2,(H2,18,19,21,23)