4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-1,5-benzodiazepin-5-ium chloride

Systemtic Name: 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-1,5-benzodiazepin-5-ium chloride Openeye Name: 4-(4-tert-butylphenyl)-2-(p-tolyl)-1H-1,5-benzodiazepin-5-ium chloride CAS Name: 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-1,5-benzodiazepin-5-ium chloride IUPAC Name: 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-1,5-benzodiazepin-5-ium chloride Traditional Name: 4-(4-tert-butylphenyl)-2-(p-tolyl)-1H-1,5-benzodiazepin-5-ium chloride Formula: C26H27ClN2 MolecularWeight: 402.95898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=CC=C3N2)C4=CC=C(C=C4)C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=CC=C3N2)C4=CC=C(C=C4)C(C)(C)C.[Cl-]

InChI

InChI=1S/C26H26N2.ClH/c1-18-9-11-19(12-10-18)24-17-25(28-23-8-6-5-7-22(23)27-24)20-13-15-21(16-14-20)26(2,3)4;/h5-17,27H,1-4H3;1H