4-(3-phenylprop-2-ynyl)-4-prop-2-enyl-morpholin-4-ium bromide

Systemtic Name: 4-(3-phenylprop-2-ynyl)-4-prop-2-enyl-morpholin-4-ium bromide Openeye Name: 4-allyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide CAS Name: 4-(3-phenylprop-2-ynyl)-4-prop-2-enylmorpholin-4-ium bromide IUPAC Name: 4-(3-phenylprop-2-ynyl)-4-prop-2-enylmorpholin-4-ium bromide Traditional Name: 4-allyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide Formula: C16H20BrNO MolecularWeight: 322.2401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCOCC1)CC#CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C=CC[N+]1(CCOCC1)CC#CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H20NO.BrH/c1-2-10-17(12-14-18-15-13-17)11-6-9-16-7-4-3-5-8-16;/h2-5,7-8H,1,10-15H2;1H/q+1;/p-1