(E)-4-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-oxo-4-(quinuclidin-3-ylamino)but-2-enoic acid CAS Name: (E)-4-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(quinuclidin-3-ylamino)but-2-enoic acid Formula: C11H16N2O3 MolecularWeight: 224.25634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C=CC(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H16N2O3/c14-10(1-2-11(15)16)12-9-7-13-5-3-8(9)4-6-13/h1-2,8-9H,3-7H2,(H,12,14)(H,15,16)/b2-1+