5-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]-2-methyl-phenol bromide

Systemtic Name: 5-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]-2-methyl-phenol bromide Openeye Name: 5-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]-2-methyl-phenol bromide CAS Name: 5-[2-(1,4-dimethyl-1-piperazin-1-iumyl)ethylamino]-2-methylphenol bromide IUPAC Name: 5-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]-2-methylphenol bromide Traditional Name: 5-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]-2-methyl-phenol bromide Formula: C15H26BrN3O MolecularWeight: 344.29044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC[N+]2(CCN(CC2)C)C)O.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCC[N+]2(CCN(CC2)C)C)O.[Br-]

InChI

InChI=1S/C15H25N3O.BrH/c1-13-4-5-14(12-15(13)19)16-6-9-18(3)10-7-17(2)8-11-18;/h4-5,12,16H,6-11H2,1-3H3;1H