1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium iodide

Systemtic Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium iodide Openeye Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium iodide CAS Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium iodide IUPAC Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium iodide Traditional Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium iodide Formula: C19H29IN2 MolecularWeight: 412.35143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C2=CC=CC=C21)C(C)C3CCCCC3.[I-]

Isomeric SMILES

CCCC[N+]1=CN(C2=CC=CC=C21)[C@@H](C)C3CCCCC3.[I-]

InChI

InChI=1S/C19H29N2.HI/c1-3-4-14-20-15-21(19-13-9-8-12-18(19)20)16(2)17-10-6-5-7-11-17;/h8-9,12-13,15-17H,3-7,10-11,14H2,1-2H3;1H/q+1;/p-1/t16-;/m0./s1