1-(4-chlorophenyl)-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[4-(3-phenylprop-2-ynyl)-4-morpholin-4-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide Formula: C21H21BrClNO2 MolecularWeight: 434.75394

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC#CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1COCC[N+]1(CC#CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C21H21ClNO2.BrH/c22-20-10-8-19(9-11-20)21(24)17-23(13-15-25-16-14-23)12-4-7-18-5-2-1-3-6-18;/h1-3,5-6,8-11H,12-17H2;1H/q+1;/p-1