2-(2-methylbenzimidazol-1-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[2-(2-methylbenzimidazol-1-yl)ethyl]ammonium CAS Name: 2-(2-methyl-1-benzimidazolyl)ethyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[2-(2-methylbenzimidazol-1-yl)ethyl]ammonium Formula: C17H28N3+ MolecularWeight: 274.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC[NH2+]C(C)CCC(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC[NH2+][C@@H](C)CCC(C)C

InChI

InChI=1S/C17H27N3/c1-13(2)9-10-14(3)18-11-12-20-15(4)19-16-7-5-6-8-17(16)20/h5-8,13-14,18H,9-12H2,1-4H3/p+1/t14-/m0/s1