diethyl 2-[[[3-(phenylmethyl)imidazol-3-ium-1-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[3-(phenylmethyl)imidazol-3-ium-1-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(3-benzylimidazol-3-ium-1-yl)amino]methylene]propanedioate CAS Name: 2-[[[3-(phenylmethyl)-1-imidazol-3-iumyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(3-benzylimidazol-3-ium-1-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(3-benzylimidazol-3-ium-1-yl)amino]methylene]malonic acid diethyl ester Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNN1C=C[N+](=C1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNN1C=C[N+](=C1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H21N3O4/c1-3-24-17(22)16(18(23)25-4-2)12-19-21-11-10-20(14-21)13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3/p+1