1-heptyl-3-(4-phenylbutyl)imidazol-1-ium chloride

Systemtic Name: 1-heptyl-3-(4-phenylbutyl)imidazol-1-ium chloride Openeye Name: 1-heptyl-3-(4-phenylbutyl)imidazol-1-ium chloride CAS Name: 1-heptyl-3-(4-phenylbutyl)imidazol-1-ium chloride IUPAC Name: 1-heptyl-3-(4-phenylbutyl)imidazol-1-ium chloride Traditional Name: 1-heptyl-3-(4-phenylbutyl)imidazol-1-ium chloride Formula: C20H31ClN2 MolecularWeight: 334.92654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H31N2.ClH/c1-2-3-4-5-10-15-21-17-18-22(19-21)16-11-9-14-20-12-7-6-8-13-20;/h6-8,12-13,17-19H,2-5,9-11,14-16H2,1H3;1H/q+1;/p-1