1-[5-(4-chlorophenyl)pentan-2-yl]-3-heptyl-imidazol-3-ium

Systemtic Name: 1-[5-(4-chlorophenyl)pentan-2-yl]-3-heptyl-imidazol-3-ium Openeye Name: 1-[4-(4-chlorophenyl)-1-methyl-butyl]-3-heptyl-imidazol-3-ium CAS Name: 1-[5-(4-chlorophenyl)pentan-2-yl]-3-heptylimidazol-3-ium IUPAC Name: 1-[5-(4-chlorophenyl)pentan-2-yl]-3-heptylimidazol-3-ium Traditional Name: 1-[4-(4-chlorophenyl)-1-methyl-butyl]-3-heptyl-imidazol-3-ium Formula: C21H32ClN2+ MolecularWeight: 347.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)C(C)CCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)C(C)CCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H32ClN2/c1-3-4-5-6-7-15-23-16-17-24(18-23)19(2)9-8-10-20-11-13-21(22)14-12-20/h11-14,16-19H,3-10,15H2,1-2H3/q+1