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

Systemtic Name: (E)-4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-2-phenyl-but-2-enoate Openeye Name: (E)-4-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxo-2-phenyl-but-2-enoate CAS Name: (E)-4-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-4-oxo-2-phenyl-2-butenoate IUPAC Name: (E)-4-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxo-2-phenylbut-2-enoate Traditional Name: (E)-4-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-keto-2-phenyl-but-2-enoate Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=C(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C(\C3=CC=CC=C3)/C(=O)[O-]

InChI

InChI=1S/C22H25N3O3/c1-2-24-12-14-25(15-13-24)19-10-8-18(9-11-19)23-21(26)16-20(22(27)28)17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3,(H,23,26)(H,27,28)/b20-16+