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

Systemtic Name: 1-[1-(phenylmethyl)isoquinolin-2-ium-2-yl]propan-2-one bromide Openeye Name: 1-(1-benzylisoquinolin-2-ium-2-yl)propan-2-one bromide CAS Name: 1-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]-2-propanone bromide IUPAC Name: 1-(1-benzylisoquinolin-2-ium-2-yl)propan-2-one bromide Traditional Name: 1-(1-benzylisoquinolin-2-ium-2-yl)acetone bromide Formula: C19H18BrNO MolecularWeight: 356.25632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18NO.BrH/c1-15(21)14-20-12-11-17-9-5-6-10-18(17)19(20)13-16-7-3-2-4-8-16;/h2-12H,13-14H2,1H3;1H/q+1;/p-1