2-(diethylamino)-N-[(3-prop-2-enylimidazol-1-ium-1-yl)methyl]ethanamide bromide

Systemtic Name: 2-(diethylamino)-N-[(3-prop-2-enylimidazol-1-ium-1-yl)methyl]ethanamide bromide Openeye Name: N-[(3-allylimidazol-1-ium-1-yl)methyl]-2-(diethylamino)acetamide bromide CAS Name: 2-(diethylamino)-N-[(3-prop-2-enyl-1-imidazol-1-iumyl)methyl]acetamide bromide IUPAC Name: 2-(diethylamino)-N-[(3-prop-2-enylimidazol-1-ium-1-yl)methyl]acetamide bromide Traditional Name: N-[(3-allylimidazol-1-ium-1-yl)methyl]-2-(diethylamino)acetamide bromide Formula: C13H23BrN4O MolecularWeight: 331.25192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC[N+]1=CN(C=C1)CC=C.[Br-]

Isomeric SMILES

CCN(CC)CC(=O)NC[N+]1=CN(C=C1)CC=C.[Br-]

InChI

InChI=1S/C13H22N4O.BrH/c1-4-7-16-8-9-17(12-16)11-14-13(18)10-15(5-2)6-3;/h4,8-9,12H,1,5-7,10-11H2,2-3H3;1H