methyl 4-[[(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carbonyl]amino]butanoate CAS Name: 4-[[[(3S)-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carbonyl]amino]butanoate Traditional Name: 4-[[(3S)-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotoyl]amino]butyric acid methyl ester Formula: C18H32N3O5+ MolecularWeight: 370.46378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1CCC(=O)N(C1)CCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)CCCNC(=O)[C@H]1CCC(=O)N(C1)CCC[NH+]2CCOCC2

InChI

InChI=1S/C18H31N3O5/c1-25-17(23)4-2-7-19-18(24)15-5-6-16(22)21(14-15)9-3-8-20-10-12-26-13-11-20/h15H,2-14H2,1H3,(H,19,24)/p+1/t15-/m0/s1