4-pent-4-en-2-ynyl-4-prop-2-ynyl-morpholin-4-ium bromide

Systemtic Name: 4-pent-4-en-2-ynyl-4-prop-2-ynyl-morpholin-4-ium bromide Openeye Name: 4-pent-4-en-2-ynyl-4-prop-2-ynyl-morpholin-4-ium bromide CAS Name: 4-pent-4-en-2-ynyl-4-prop-2-ynylmorpholin-4-ium bromide IUPAC Name: 4-pent-4-en-2-ynyl-4-prop-2-ynylmorpholin-4-ium bromide Traditional Name: 4-pent-4-en-2-ynyl-4-propargyl-morpholin-4-ium bromide Formula: C12H16BrNO MolecularWeight: 270.16554

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Descriptors Computed from Structure

Canonical SMILES:

C=CC#CC[N+]1(CCOCC1)CC#C.[Br-]

Isomeric SMILES

C=CC#CC[N+]1(CCOCC1)CC#C.[Br-]

InChI

InChI=1S/C12H16NO.BrH/c1-3-5-6-8-13(7-4-2)9-11-14-12-10-13;/h2-3H,1,7-12H2;1H/q+1;/p-1