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

Systemtic Name: (E)-4-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]amino]-4-oxidanylidene-2-phenyl-but-2-enoate Openeye Name: (E)-4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-oxo-2-phenyl-but-2-enoate CAS Name: (E)-4-[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]anilino]-4-oxo-2-phenyl-2-butenoate IUPAC Name: (E)-4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-oxo-2-phenylbut-2-enoate Traditional Name: (E)-4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-keto-2-phenyl-but-2-enoate Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)NC(=O)C=C(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)NC(=O)/C=C(\C3=CC=CC=C3)/C(=O)[O-]

InChI

InChI=1S/C22H25N3O4/c26-15-14-24-10-12-25(13-11-24)19-8-6-18(7-9-19)23-21(27)16-20(22(28)29)17-4-2-1-3-5-17/h1-9,16,26H,10-15H2,(H,23,27)(H,28,29)/b20-16+