2,4-bis(2,4,6-trimethylphenyl)-1,5-dihydro-2,4-benzodiazepin-4-ium bromide

Systemtic Name: 2,4-bis(2,4,6-trimethylphenyl)-1,5-dihydro-2,4-benzodiazepin-4-ium bromide Openeye Name: 2,4-bis(2,4,6-trimethylphenyl)-1,5-dihydro-2,4-benzodiazepin-4-ium bromide CAS Name: 2,4-bis(2,4,6-trimethylphenyl)-1,5-dihydro-2,4-benzodiazepin-4-ium bromide IUPAC Name: 2,4-bis(2,4,6-trimethylphenyl)-1,5-dihydro-2,4-benzodiazepin-4-ium bromide Traditional Name: 2,4-dimesityl-1,5-dihydro-2,4-benzodiazepin-4-ium bromide Formula: C27H31BrN2 MolecularWeight: 463.45244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2CC3=CC=CC=C3C[N+](=C2)C4=C(C=C(C=C4C)C)C)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2CC3=CC=CC=C3C[N+](=C2)C4=C(C=C(C=C4C)C)C)C.[Br-]

InChI

InChI=1S/C27H31N2.BrH/c1-18-11-20(3)26(21(4)12-18)28-15-24-9-7-8-10-25(24)16-29(17-28)27-22(5)13-19(2)14-23(27)6;/h7-14,17H,15-16H2,1-6H3;1H/q+1;/p-1