2-methyl-5-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]phenol bromide

Systemtic Name: 2-methyl-5-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]phenol bromide Openeye Name: 2-methyl-5-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]phenol bromide CAS Name: 2-methyl-5-[2-(1-methyl-1-piperidin-1-iumyl)ethylamino]phenol bromide IUPAC Name: 2-methyl-5-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]phenol bromide Traditional Name: 2-methyl-5-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]phenol bromide Formula: C15H25BrN2O MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC[N+]2(CCCCC2)C)O.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCC[N+]2(CCCCC2)C)O.[Br-]

InChI

InChI=1S/C15H24N2O.BrH/c1-13-6-7-14(12-15(13)18)16-8-11-17(2)9-4-3-5-10-17;/h6-7,12,16H,3-5,8-11H2,1-2H3;1H