4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]carbamoylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]carbamoylamino]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[[(3R)-quinuclidin-1-ium-3-yl]carbamoylamino]butanoate CAS Name: 4-[[[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-oxomethyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]carbamoylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(3R)-quinuclidin-1-ium-3-yl]carbamoylamino]butyrate Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4/c16-10(1-2-11(17)18)14-12(19)13-9-7-15-5-3-8(9)4-6-15/h8-9H,1-7H2,(H,17,18)(H2,13,14,16,19)/t9-/m0/s1