(E)-4-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-4-keto-but-2-enoate Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C28H27N3O4/c32-25(15-16-26(33)34)29-24-14-8-7-13-23(24)28(35)31-19-17-30(18-20-31)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-16,27H,17-20H2,(H,29,32)(H,33,34)/b16-15+