3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1H-benzimidazol-3-ium-2-yl]amine Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[N+]2=C(NC3=CC=CC=C32)N

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[N+]2=C(NC3=CC=CC=C32)N

InChI

InChI=1S/C15H21N3/c1-10-6-5-9-13(11(10)2)18-14-8-4-3-7-12(14)17-15(18)16/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H2,16,17)/p+1/t10-,11+,13-/m0/s1