1,4-diazabicyclo[2.2.2]octane; (Z)-octadec-9-enoic acid

Systemtic Name: 1,4-diazabicyclo[2.2.2]octane; (Z)-octadec-9-enoic acid Openeye Name: 1,4-diazabicyclo[2.2.2]octane; (Z)-octadec-9-enoic acid CAS Name: 1,4-diazabicyclo[2.2.2]octane; (Z)-9-octadecenoic acid IUPAC Name: 1,4-diazabicyclo[2.2.2]octane; (Z)-octadec-9-enoic acid Traditional Name: 1,4-diazabicyclo[2.2.2]octane; oleic acid Formula: C24H46N2O2 MolecularWeight: 394.63424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.C1CN2CCN1CC2

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O.C1CN2CCN1CC2

InChI

InChI=1S/C18H34O2.C6H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-8-5-3-7(1)4-6-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-6H2/b10-9-;