4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-phenyl-non-1-en-3-one bromide

Systemtic Name: 4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-phenyl-non-1-en-3-one bromide Openeye Name: 4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-phenyl-non-1-en-3-one bromide CAS Name: 4-[(4-methyl-4-morpholin-4-iumyl)methyl]-1-phenyl-1-nonen-3-one bromide IUPAC Name: 4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one bromide Traditional Name: 4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-phenyl-non-1-en-3-one bromide Formula: C21H32BrNO2 MolecularWeight: 410.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32NO2.BrH/c1-3-4-6-11-20(18-22(2)14-16-24-17-15-22)21(23)13-12-19-9-7-5-8-10-19;/h5,7-10,12-13,20H,3-4,6,11,14-18H2,1-2H3;1H/q+1;/p-1