1-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-imidazol-3-ium

Systemtic Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-imidazol-3-ium Openeye Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-imidazol-3-ium CAS Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-3-heptylimidazol-3-ium IUPAC Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-3-heptylimidazol-3-ium Traditional Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-imidazol-3-ium Formula: C20H26ClN2+ MolecularWeight: 329.88684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)CCC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)CCC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H26ClN2/c1-2-3-4-5-7-14-22-16-17-23(18-22)15-8-6-9-19-10-12-20(21)13-11-19/h10-13,16-18H,2-5,7-8,14-15H2,1H3/q+1