1-[2-(4-methylphenoxy)ethyl]-3-propan-2-yl-benzimidazol-1-ium-2-amine bromide

Systemtic Name: 1-[2-(4-methylphenoxy)ethyl]-3-propan-2-yl-benzimidazol-1-ium-2-amine bromide Openeye Name: 1-isopropyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-3-ium-2-amine bromide CAS Name: 1-[2-(4-methylphenoxy)ethyl]-3-propan-2-yl-2-benzimidazol-1-iumamine bromide IUPAC Name: 1-[2-(4-methylphenoxy)ethyl]-3-propan-2-ylbenzimidazol-1-ium-2-amine bromide Traditional Name: [1-isopropyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-3-ium-2-yl]amine bromide Formula: C19H24BrN3O MolecularWeight: 390.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[N+]2=C(N(C3=CC=CC=C32)C(C)C)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC[N+]2=C(N(C3=CC=CC=C32)C(C)C)N.[Br-]

InChI

InChI=1S/C19H23N3O.BrH/c1-14(2)22-18-7-5-4-6-17(18)21(19(22)20)12-13-23-16-10-8-15(3)9-11-16;/h4-11,14,20H,12-13H2,1-3H3;1H