2-[(4E)-1-butyl-2,5-bis(oxidanylidene)-4-(phenylmethylidene)imidazolidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[(4E)-1-butyl-2,5-bis(oxidanylidene)-4-(phenylmethylidene)imidazolidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[(4E)-4-benzylidene-1-butyl-2,5-dioxo-imidazolidin-1-ium-1-yl]propanoic acid CAS Name: 2-[(4E)-1-butyl-2,5-dioxo-4-(phenylmethylene)-1-imidazolidin-1-iumyl]propanoic acid IUPAC Name: 2-[(4E)-4-benzylidene-1-butyl-2,5-dioxoimidazolidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[(4E)-4-benzal-1-butyl-2,5-diketo-imidazolidin-1-ium-1-yl]propionic acid Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)C(=CC2=CC=CC=C2)NC1=O)C(C)C(=O)O

Isomeric SMILES

CCCC[N+]1(C(=O)/C(=C\C2=CC=CC=C2)/NC1=O)C(C)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-3-4-10-19(12(2)16(21)22)15(20)14(18-17(19)23)11-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H-,18,21,22,23)/p+1/b14-11+