5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]carbamoylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]carbamoylamino]-5-oxidanylidene-pentanoate Openeye Name: 5-oxo-5-[[(3R)-quinuclidin-1-ium-3-yl]carbamoylamino]pentanoate CAS Name: 5-[[[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-oxomethyl]amino]-5-oxopentanoate IUPAC Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]carbamoylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[(3R)-quinuclidin-1-ium-3-yl]carbamoylamino]valerate Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC(=O)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC(=O)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C13H21N3O4/c17-11(2-1-3-12(18)19)15-13(20)14-10-8-16-6-4-9(10)5-7-16/h9-10H,1-8H2,(H,18,19)(H2,14,15,17,20)/t10-/m0/s1