ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-propyl-benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-propyl-benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-2-propyl-benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-(2-ethoxy-2-oxoethyl)-2-propyl-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-propylbenzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-(2-ethoxy-2-keto-ethyl)-2-propyl-benzimidazol-3-ium-1-yl]acetic acid ethyl ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C18H25N2O4/c1-4-9-16-19(12-17(21)23-5-2)14-10-7-8-11-15(14)20(16)13-18(22)24-6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3/q+1