3-hexyl-3-oxidanidyl-1,2-dihydrobenzimidazol-3-ium

Systemtic Name: 3-hexyl-3-oxidanidyl-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-hexyl-3-oxido-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-hexyl-3-oxido-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-hexyl-3-oxido-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-hexyl-3-oxido-1,2-dihydrobenzimidazol-3-ium Formula: C13H20N2O MolecularWeight: 220.3107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CNC2=CC=CC=C21)[O-]

Isomeric SMILES

CCCCCC[N+]1(CNC2=CC=CC=C21)[O-]

InChI

InChI=1S/C13H20N2O/c1-2-3-4-7-10-15(16)11-14-12-8-5-6-9-13(12)15/h5-6,8-9,14H,2-4,7,10-11H2,1H3