3-[(2S)-3-methylbutan-2-yl]-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-[(2S)-3-methylbutan-2-yl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[(1S)-1,2-dimethylpropyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[(2S)-3-methylbutan-2-yl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[(2S)-3-methylbutan-2-yl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-[(1S)-1,2-dimethylpropyl]-1H-benzimidazol-3-ium-2-yl]amine Formula: C12H18N3+ MolecularWeight: 204.29142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)[N+]1=C(NC2=CC=CC=C21)N

Isomeric SMILES

C[C@@H](C(C)C)[N+]1=C(NC2=CC=CC=C21)N

InChI

InChI=1S/C12H17N3/c1-8(2)9(3)15-11-7-5-4-6-10(11)14-12(15)13/h4-9H,1-3H3,(H2,13,14)/p+1/t9-/m0/s1