[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3

InChI

InChI=1S/C17H23N3O4/c1-12(13-4-5-13)19-15(21)11-24-17(22)14-3-2-6-18-16(14)20-7-9-23-10-8-20/h2-3,6,12-13H,4-5,7-11H2,1H3,(H,19,21)/p+1/t12-/m1/s1