ethyl (3S)-1-[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H28N3O4+ MolecularWeight: 314.40052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCC(=O)NC(C)C

InChI

InChI=1S/C15H27N3O4/c1-4-22-15(21)12-6-5-7-18(9-12)10-14(20)16-8-13(19)17-11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)(H,17,19)/p+1/t12-/m0/s1