1-azabicyclo[2.2.2]octane; (E)-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 1-azabicyclo[2.2.2]octane; (E)-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-oxo-4-(p-tolyl)but-2-enoic acid; quinuclidine CAS Name: 1-azabicyclo[2.2.2]octane; (E)-4-(4-methylphenyl)-4-oxo-2-butenoic acid IUPAC Name: 1-azabicyclo[2.2.2]octane; (E)-4-(4-methylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(p-tolyl)but-2-enoic acid; quinuclidine Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC(=O)O.C1CN2CCC1CC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O.C1CN2CCC1CC2

InChI

InChI=1S/C11H10O3.C7H13N/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14;1-4-8-5-2-7(1)3-6-8/h2-7H,1H3,(H,13,14);7H,1-6H2/b7-6+;