(2-bromophenyl)-[2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide

Systemtic Name: (2-bromophenyl)-[2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide Openeye Name: (2-bromophenyl)-[2-(1-methylpyridin-1-ium-3-yl)-1-piperidyl]methanone iodide CAS Name: (2-bromophenyl)-[2-(1-methyl-3-pyridin-1-iumyl)-1-piperidinyl]methanone iodide IUPAC Name: (2-bromophenyl)-[2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide Traditional Name: (2-bromophenyl)-[2-(1-methylpyridin-1-ium-3-yl)piperidino]methanone iodide Formula: C18H20BrIN2O MolecularWeight: 487.17267

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2CCCCN2C(=O)C3=CC=CC=C3Br.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2CCCCN2C(=O)C3=CC=CC=C3Br.[I-]

InChI

InChI=1S/C18H20BrN2O.HI/c1-20-11-6-7-14(13-20)17-10-4-5-12-21(17)18(22)15-8-2-3-9-16(15)19;/h2-3,6-9,11,13,17H,4-5,10,12H2,1H3;1H/q+1;/p-1