1-[1-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-one bromide

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-one bromide Openeye Name: 1-(1-benzylpiperidin-1-ium-1-yl)propan-2-one bromide CAS Name: 1-[1-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanone bromide IUPAC Name: 1-(1-benzylpiperidin-1-ium-1-yl)propan-2-one bromide Traditional Name: 1-(1-benzylpiperidin-1-ium-1-yl)acetone bromide Formula: C15H22BrNO MolecularWeight: 312.24528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1(CCCCC1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(=O)C[N+]1(CCCCC1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H22NO.BrH/c1-14(17)12-16(10-6-3-7-11-16)13-15-8-4-2-5-9-15;/h2,4-5,8-9H,3,6-7,10-13H2,1H3;1H/q+1;/p-1