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

Systemtic Name: 2-[(4E)-2,5-bis(oxidanylidene)-4-(phenylmethylidene)-1-propan-2-yl-imidazolidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[(4E)-4-benzylidene-1-isopropyl-2,5-dioxo-imidazolidin-1-ium-1-yl]propanoic acid CAS Name: 2-[(4E)-2,5-dioxo-4-(phenylmethylene)-1-propan-2-yl-1-imidazolidin-1-iumyl]propanoic acid IUPAC Name: 2-[(4E)-4-benzylidene-2,5-dioxo-1-propan-2-ylimidazolidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[(4E)-4-benzal-1-isopropyl-2,5-diketo-imidazolidin-1-ium-1-yl]propionic acid Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-10(2)18(11(3)15(20)21)14(19)13(17-16(18)22)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H-,17,20,21,22)/p+1/b13-9+