3-(4-butan-2-ylphenyl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine bromide

Systemtic Name: 3-(4-butan-2-ylphenyl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine bromide Openeye Name: 4-(4-isopropylphenyl)-3-(4-sec-butylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine bromide CAS Name: 3-(4-butan-2-ylphenyl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine bromide IUPAC Name: 3-(4-butan-2-ylphenyl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine bromide Traditional Name: [5-p-cumenyl-1-(4-sec-butylphenyl)-2-imidazolin-1-ium-2-yl]amine bromide Formula: C22H30BrN3 MolecularWeight: 416.3977

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)[N+]2=C(NCC2C3=CC=C(C=C3)C(C)C)N.[Br-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)[N+]2=C(NCC2C3=CC=C(C=C3)C(C)C)N.[Br-]

InChI

InChI=1S/C22H29N3.BrH/c1-5-16(4)18-10-12-20(13-11-18)25-21(14-24-22(25)23)19-8-6-17(7-9-19)15(2)3;/h6-13,15-16,21H,5,14H2,1-4H3,(H2,23,24);1H