ethyl 5-[[[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carbonyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[[(3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinyl]-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[(3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotoyl]amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C20H30N3O6+ MolecularWeight: 408.4687

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CNC(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CNC(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H29N3O6/c1-2-28-20(26)17-5-4-16(29-17)13-21-19(25)15-3-6-18(24)23(14-15)8-7-22-9-11-27-12-10-22/h4-5,15H,2-3,6-14H2,1H3,(H,21,25)/p+1/t15-/m0/s1