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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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