(2S)-1-(3-butylimidazol-1-ium-1-yl)-N,3-dimethyl-butan-2-amine chloride

Systemtic Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-N,3-dimethyl-butan-2-amine chloride Openeye Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-N,3-dimethyl-butan-2-amine chloride CAS Name: (2S)-1-(3-butyl-1-imidazol-1-iumyl)-N,3-dimethyl-2-butanamine chloride IUPAC Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-N,3-dimethylbutan-2-amine chloride Traditional Name: [(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-2-methyl-propyl]-methyl-amine chloride Formula: C13H26ClN3 MolecularWeight: 259.81864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC(C(C)C)NC.[Cl-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@H](C(C)C)NC.[Cl-]

InChI

InChI=1S/C13H26N3.ClH/c1-5-6-7-15-8-9-16(11-15)10-13(14-4)12(2)3;/h8-9,11-14H,5-7,10H2,1-4H3;1H/q+1;/p-1/t13-;/m1./s1