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

Systemtic Name: 4-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anilino]-4-keto-butyrate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/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/h1-4,20H,5-12H2,(H,17,21)(H,22,23)