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

Systemtic Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol bromide Openeye Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol bromide CAS Name: (2S)-2-[(1-butyl-3-methyl-2-imidazol-3-iumyl)methylamino]-3-phenyl-1-propanol bromide IUPAC Name: (2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3-phenylpropan-1-ol bromide Traditional Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol bromide Formula: C18H28BrN3O MolecularWeight: 382.33842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1CNC(CC2=CC=CC=C2)CO)C.[Br-]

Isomeric SMILES

CCCCN1C=C[N+](=C1CN[C@@H](CC2=CC=CC=C2)CO)C.[Br-]

InChI

InChI=1S/C18H28N3O.BrH/c1-3-4-10-21-12-11-20(2)18(21)14-19-17(15-22)13-16-8-6-5-7-9-16;/h5-9,11-12,17,19,22H,3-4,10,13-15H2,1-2H3;1H/q+1;/p-1/t17-;/m0./s1