ethyl 3-[2-(2-ethoxy-2-oxidanylidene-ethyl)-3H-benzimidazol-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[2-(2-ethoxy-2-oxidanylidene-ethyl)-3H-benzimidazol-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[2-(2-ethoxy-2-oxo-ethyl)-3H-benzimidazol-1-ium-1-yl]propanoate CAS Name: 3-[2-(2-ethoxy-2-oxoethyl)-3H-benzimidazol-1-ium-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-ethoxy-2-oxoethyl)-3H-benzimidazol-1-ium-1-yl]propanoate Traditional Name: 3-[2-(2-ethoxy-2-keto-ethyl)-3H-benzimidazol-1-ium-1-yl]propionic acid ethyl ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1=C(NC2=CC=CC=C21)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC[N+]1=C(NC2=CC=CC=C21)CC(=O)OCC

InChI

InChI=1S/C16H20N2O4/c1-3-21-15(19)9-10-18-13-8-6-5-7-12(13)17-14(18)11-16(20)22-4-2/h5-8H,3-4,9-11H2,1-2H3/p+1