1-[1-(1H-imidazol-5-ylmethyl)-1-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-ium-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-1-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-ium-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-1-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-ium-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-1-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-ium-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-1-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-ium-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-1-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-ium-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione Formula: C28H27N4O3+ MolecularWeight: 467.53898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=O)N2CC[N+](C3=CC=CC=C3C2)(CC4=CN=CN4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(=O)N2CC[N+](C3=CC=CC=C3C2)(CC4=CN=CN4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N4O3/c1-35-25-13-11-21(12-14-25)27(33)28(34)31-15-16-32(19-23-17-29-20-30-23,24-8-3-2-4-9-24)26-10-6-5-7-22(26)18-31/h2-14,17,20H,15-16,18-19H2,1H3,(H,29,30)/q+1