1-[4-(4-chlorophenyl)butyl]-3-heptyl-2-methyl-imidazol-3-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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