[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-4-19(2,3)15-5-7-16(8-6-15)20-17(22)13-25-18(23)14-9-11-21(24)12-10-14/h9-12,15-16H,4-8,13H2,1-3H3,(H,20,22)