(2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-methyl-butan-1-ol bromide

Systemtic Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-methyl-butan-1-ol bromide Openeye Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-methyl-butan-1-ol bromide CAS Name: (2S)-2-[(1-butyl-3-methyl-2-imidazol-3-iumyl)methylamino]-3-methyl-1-butanol bromide IUPAC Name: (2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3-methylbutan-1-ol bromide Traditional Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-methyl-butan-1-ol bromide Formula: C14H28BrN3O MolecularWeight: 334.29562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28N3O.BrH/c1-5-6-7-17-9-8-16(4)14(17)10-15-13(11-18)12(2)3;/h8-9,12-13,15,18H,5-7,10-11H2,1-4H3;1H/q+1;/p-1/t13-;/m1./s1