2-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-1H-imidazol-3-ium

Systemtic Name: 2-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-1H-imidazol-3-ium Openeye Name: 2-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-1H-imidazol-3-ium CAS Name: 2-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-1H-imidazol-3-ium IUPAC Name: 2-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-1H-imidazol-3-ium Traditional Name: 2-[4-(4-chlorophenyl)but-3-ynyl]-3-heptyl-1H-imidazol-3-ium Formula: C20H26ClN2+ MolecularWeight: 329.88684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2/c1-2-3-4-5-8-16-23-17-15-22-20(23)10-7-6-9-18-11-13-19(21)14-12-18/h11-15,17H,2-5,7-8,10,16H2,1H3/p+1