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

Systemtic Name: 3-[(2S)-butan-2-yl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[(1S)-1-methylpropyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[(2S)-butan-2-yl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[(2S)-butan-2-yl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-[(1S)-1-methylpropyl]-1H-benzimidazol-3-ium-2-yl]amine Formula: C11H16N3+ MolecularWeight: 190.26484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3/c1-3-8(2)14-10-7-5-4-6-9(10)13-11(14)12/h4-8H,3H2,1-2H3,(H2,12,13)/p+1/t8-/m0/s1