[(2S,3S)-2-(2-methylbenzimidazol-1-yl)pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-(2-methylbenzimidazol-1-yl)pentan-3-yl]azanium Openeye Name: [(1S,2S)-1-ethyl-2-(2-methylbenzimidazol-1-yl)propyl]ammonium CAS Name: [(2S,3S)-2-(2-methyl-1-benzimidazolyl)pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-(2-methylbenzimidazol-1-yl)pentan-3-yl]azanium Traditional Name: [(1S,2S)-1-ethyl-2-(2-methylbenzimidazol-1-yl)propyl]ammonium Formula: C13H20N3+ MolecularWeight: 218.318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)N1C(=NC2=CC=CC=C21)C)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)N1C(=NC2=CC=CC=C21)C)[NH3+]

InChI

InChI=1S/C13H19N3/c1-4-11(14)9(2)16-10(3)15-12-7-5-6-8-13(12)16/h5-9,11H,4,14H2,1-3H3/p+1/t9-,11-/m0/s1