2-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1S)-1-ammonio-3-methylbutyl]-1-benzimidazolyl]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1S)-1-azaniumyl-3-methylbutyl]benzimidazol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-[(1S)-1-ammonio-3-methyl-butyl]benzimidazol-1-yl]ethyl-dimethyl-ammonium Formula: C16H28N4+2 MolecularWeight: 276.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2N1CC[NH+](C)C)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NC2=CC=CC=C2N1CC[NH+](C)C)[NH3+]

InChI

InChI=1S/C16H26N4/c1-12(2)11-13(17)16-18-14-7-5-6-8-15(14)20(16)10-9-19(3)4/h5-8,12-13H,9-11,17H2,1-4H3/p+2/t13-/m0/s1