1-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-methyl-piperidin-1-ium iodide Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-1-methyl-piperidin-1-ium iodide CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-1-methylpiperidin-1-ium iodide IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-1-methylpiperidin-1-ium iodide Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-1-methyl-piperidin-1-ium iodide Formula: C14H21BrINO MolecularWeight: 426.13111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrNO.HI/c1-16(8-4-3-5-9-16)11-12-10-13(15)6-7-14(12)17-2;/h6-7,10H,3-5,8-9,11H2,1-2H3;1H/q+1;/p-1