1-[3-(4-chlorophenyl)propyl]-3-heptyl-imidazol-1-ium bromide

Systemtic Name: 1-[3-(4-chlorophenyl)propyl]-3-heptyl-imidazol-1-ium bromide Openeye Name: 1-[3-(4-chlorophenyl)propyl]-3-heptyl-imidazol-1-ium bromide CAS Name: 1-[3-(4-chlorophenyl)propyl]-3-heptylimidazol-1-ium bromide IUPAC Name: 1-[3-(4-chlorophenyl)propyl]-3-heptylimidazol-1-ium bromide Traditional Name: 1-[3-(4-chlorophenyl)propyl]-3-heptyl-imidazol-1-ium bromide Formula: C19H28BrClN2 MolecularWeight: 399.79602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

CCCCCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C19H28ClN2.BrH/c1-2-3-4-5-6-13-21-15-16-22(17-21)14-7-8-18-9-11-19(20)12-10-18;/h9-12,15-17H,2-8,13-14H2,1H3;1H/q+1;/p-1