2-[(4E)-1-(2-ethylhexyl)-2,5-bis(oxidanylidene)-4-(phenylmethylidene)imidazolidin-1-ium-1-yl]propanoate

Systemtic Name: 2-[(4E)-1-(2-ethylhexyl)-2,5-bis(oxidanylidene)-4-(phenylmethylidene)imidazolidin-1-ium-1-yl]propanoate Openeye Name: 2-[(4E)-4-benzylidene-1-(2-ethylhexyl)-2,5-dioxo-imidazolidin-1-ium-1-yl]propanoate CAS Name: 2-[(4E)-1-(2-ethylhexyl)-2,5-dioxo-4-(phenylmethylene)-1-imidazolidin-1-iumyl]propanoate IUPAC Name: 2-[(4E)-4-benzylidene-1-(2-ethylhexyl)-2,5-dioxoimidazolidin-1-ium-1-yl]propanoate Traditional Name: 2-[(4E)-4-benzal-1-(2-ethylhexyl)-2,5-diketo-imidazolidin-1-ium-1-yl]propionate Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-4-6-10-16(5-2)14-23(15(3)20(25)26)19(24)18(22-21(23)27)13-17-11-8-7-9-12-17/h7-9,11-13,15-16H,4-6,10,14H2,1-3H3,(H-,22,25,26,27)/b18-13+