2-[(2S)-pentan-2-yl]-3H-benzimidazol-1-ium-5-amine

Systemtic Name: 2-[(2S)-pentan-2-yl]-3H-benzimidazol-1-ium-5-amine Openeye Name: 2-[(1S)-1-methylbutyl]-3H-benzimidazol-1-ium-5-amine CAS Name: 2-[(2S)-pentan-2-yl]-3H-benzimidazol-1-ium-5-amine IUPAC Name: 2-[(2S)-pentan-2-yl]-3H-benzimidazol-1-ium-5-amine Traditional Name: [2-[(1S)-1-methylbutyl]-3H-benzimidazol-1-ium-5-yl]amine Formula: C12H18N3+ MolecularWeight: 204.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=[NH+]C2=C(N1)C=C(C=C2)N

Isomeric SMILES

CCC[C@H](C)C1=[NH+]C2=C(N1)C=C(C=C2)N

InChI

InChI=1S/C12H17N3/c1-3-4-8(2)12-14-10-6-5-9(13)7-11(10)15-12/h5-8H,3-4,13H2,1-2H3,(H,14,15)/p+1/t8-/m0/s1