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2-methyl-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]phenol bromide

2-methyl-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]phenol bromide

Systemtic Name:2-methyl-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]phenol bromide
Openeye Name:2-methyl-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]phenol bromide
CAS Name:2-methyl-5-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]phenol bromide
IUPAC Name:2-methyl-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]phenol bromide
Traditional Name:2-methyl-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]phenol bromide
Formula: C13H18BrN3O
MolecularWeight: 312.20552
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCCN2C=C[N+](=C2)C)O.[Br-]


Isomeric SMILES

CC1=C(C=C(C=C1)NCCN2C=C[N+](=C2)C)O.[Br-]


InChI

InChI=1S/C13H17N3O.BrH/c1-11-3-4-12(9-13(11)17)14-5-6-16-8-7-15(2)10-16;/h3-4,7-10,14H,5-6H2,1-2H3;1H


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