methyl 5-oxidanylidene-5-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]amino]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]amino]pentanoate Openeye Name: methyl 5-oxo-5-[[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amino]pentanoate CAS Name: 5-oxo-5-[[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]amino]pentanoate Traditional Name: 5-keto-5-[[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amino]valeric acid methyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1CCC[NH+](C1)CC2=CC=CC=N2

Isomeric SMILES

COC(=O)CCCC(=O)N[C@H]1CCC[NH+](C1)CC2=CC=CC=N2

InChI

InChI=1S/C17H25N3O3/c1-23-17(22)9-4-8-16(21)19-15-7-5-11-20(13-15)12-14-6-2-3-10-18-14/h2-3,6,10,15H,4-5,7-9,11-13H2,1H3,(H,19,21)/p+1/t15-/m0/s1