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

Systemtic Name: 4-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-oxo-but-2-enoate CAS Name: 4-[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]anilino]-4-oxo-2-butenoate IUPAC Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-oxobut-2-enoate Traditional Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-keto-but-2-enoate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c20-12-11-18-7-9-19(10-8-18)14-3-1-13(2-4-14)17-15(21)5-6-16(22)23/h1-6,20H,7-12H2,(H,17,21)(H,22,23)