2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]ethanesulfonate hydrobromide

Systemtic Name: 2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]ethanesulfonate hydrobromide Openeye Name: 2-[3-(2,6-diisopropylphenyl)imidazol-1-ium-1-yl]ethanesulfonate hydrobromide CAS Name: 2-[3-[2,6-di(propan-2-yl)phenyl]-1-imidazol-1-iumyl]ethanesulfonate hydrobromide IUPAC Name: 2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]ethanesulfonate hydrobromide Traditional Name: 2-[3-(2,6-diisopropylphenyl)imidazol-1-ium-1-yl]ethanesulfonate hydrobromide Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)CCS(=O)(=O)[O-].Br

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)CCS(=O)(=O)[O-].Br

InChI

InChI=1S/C17H24N2O3S.BrH/c1-13(2)15-6-5-7-16(14(3)4)17(15)19-9-8-18(12-19)10-11-23(20,21)22;/h5-9,12-14H,10-11H2,1-4H3;1H