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

Systemtic Name: ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-propyl-benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-2-propyl-benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[3-(2-ethoxy-2-oxoethyl)-2-propyl-1-benzimidazol-3-iumyl]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-propylbenzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[3-(2-ethoxy-2-keto-ethyl)-2-propyl-benzimidazol-3-ium-1-yl]acetic acid ethyl ester chloride Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N2O4.ClH/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;1H/q+1;/p-1