(2R)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-4-methyl-pentan-1-ol bromide

Systemtic Name: (2R)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-4-methyl-pentan-1-ol bromide Openeye Name: (2R)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-4-methyl-pentan-1-ol bromide CAS Name: (2R)-2-[(1-butyl-3-methyl-2-imidazol-3-iumyl)methylamino]-4-methyl-1-pentanol bromide IUPAC Name: (2R)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-4-methylpentan-1-ol bromide Traditional Name: (2R)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-4-methyl-pentan-1-ol bromide Formula: C15H30BrN3O MolecularWeight: 348.3222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1CNC(CC(C)C)CO)C.[Br-]

Isomeric SMILES

CCCCN1C=C[N+](=C1CN[C@H](CC(C)C)CO)C.[Br-]

InChI

InChI=1S/C15H30N3O.BrH/c1-5-6-7-18-9-8-17(4)15(18)11-16-14(12-19)10-13(2)3;/h8-9,13-14,16,19H,5-7,10-12H2,1-4H3;1H/q+1;/p-1/t14-;/m1./s1