3,4-bis(bromanyl)-1-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-butan-2-one

Systemtic Name: 3,4-bis(bromanyl)-1-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-butan-2-one Openeye Name: 3,4-dibromo-1-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-butan-2-one CAS Name: 3,4-dibromo-1-(4-methyl-1-piperidin-1-iumyl)-4-phenyl-2-butanone IUPAC Name: 3,4-dibromo-1-(4-methylpiperidin-1-ium-1-yl)-4-phenylbutan-2-one Traditional Name: 3,4-dibromo-1-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-butan-2-one Formula: C16H22Br2NO+ MolecularWeight: 404.15998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C(C(C2=CC=CC=C2)Br)Br

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C(C(C2=CC=CC=C2)Br)Br

InChI

InChI=1S/C16H21Br2NO/c1-12-7-9-19(10-8-12)11-14(20)16(18)15(17)13-5-3-2-4-6-13/h2-6,12,15-16H,7-11H2,1H3/p+1