1,3-bis[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]imidazol-1-ium iodide

Systemtic Name: 1,3-bis[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]imidazol-1-ium iodide Openeye Name: 1,3-bis[(1S)-2,2-dimethyl-1-(o-tolyl)propyl]imidazol-1-ium iodide CAS Name: 1,3-bis[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]imidazol-1-ium iodide IUPAC Name: 1,3-bis[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]imidazol-1-ium iodide Traditional Name: 1,3-bis[(1S)-2,2-dimethyl-1-(o-tolyl)propyl]imidazol-1-ium iodide Formula: C27H37IN2 MolecularWeight: 516.50055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(C)(C)C)N2C=C[N+](=C2)C(C3=CC=CC=C3C)C(C)(C)C.[I-]

Isomeric SMILES

CC1=CC=CC=C1[C@H](C(C)(C)C)N2C=C[N+](=C2)[C@H](C3=CC=CC=C3C)C(C)(C)C.[I-]

InChI

InChI=1S/C27H37N2.HI/c1-20-13-9-11-15-22(20)24(26(3,4)5)28-17-18-29(19-28)25(27(6,7)8)23-16-12-10-14-21(23)2;/h9-19,24-25H,1-8H3;1H/q+1;/p-1/t24-,25-;/m1./s1