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

Systemtic Name: (2-bromophenyl)-[2-(1-ethylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide Openeye Name: (2-bromophenyl)-[2-(1-ethylpyridin-1-ium-3-yl)-1-piperidyl]methanone iodide CAS Name: (2-bromophenyl)-[2-(1-ethyl-3-pyridin-1-iumyl)-1-piperidinyl]methanone iodide IUPAC Name: (2-bromophenyl)-[2-(1-ethylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide Traditional Name: (2-bromophenyl)-[2-(1-ethylpyridin-1-ium-3-yl)piperidino]methanone iodide Formula: C19H22BrIN2O MolecularWeight: 501.19925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN2O.HI/c1-2-21-12-7-8-15(14-21)18-11-5-6-13-22(18)19(23)16-9-3-4-10-17(16)20;/h3-4,7-10,12,14,18H,2,5-6,11,13H2,1H3;1H/q+1;/p-1