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

Systemtic Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3,3-dimethyl-butan-1-ol Openeye Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3,3-dimethyl-butan-1-ol CAS Name: (2S)-2-[(1-butyl-3-methyl-2-imidazol-3-iumyl)methylamino]-3,3-dimethyl-1-butanol IUPAC Name: (2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3,3-dimethylbutan-1-ol Traditional Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3,3-dimethyl-butan-1-ol Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1CNC(CO)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H30N3O/c1-6-7-8-18-10-9-17(5)14(18)11-16-13(12-19)15(2,3)4/h9-10,13,16,19H,6-8,11-12H2,1-5H3/q+1/t13-/m1/s1