1,3-bis(2,6-ditert-butylphenyl)imidazol-1-ium hydrochloride

Systemtic Name: 1,3-bis(2,6-ditert-butylphenyl)imidazol-1-ium hydrochloride Openeye Name: 1,3-bis(2,6-ditert-butylphenyl)imidazol-1-ium hydrochloride CAS Name: 1,3-bis(2,6-ditert-butylphenyl)imidazol-1-ium hydrochloride IUPAC Name: 1,3-bis(2,6-ditert-butylphenyl)imidazol-1-ium hydrochloride Traditional Name: 1,3-bis(2,6-ditert-butylphenyl)imidazol-1-ium hydrochloride Formula: C31H46ClN2+ MolecularWeight: 482.16334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)(C)C)C(C)(C)C.Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)(C)C)C(C)(C)C.Cl

InChI

InChI=1S/C31H45N2.ClH/c1-28(2,3)22-15-13-16-23(29(4,5)6)26(22)32-19-20-33(21-32)27-24(30(7,8)9)17-14-18-25(27)31(10,11)12;/h13-21H,1-12H3;1H/q+1;