ethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(piperonylamino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H25N3O5/c1-4-25-15(3)26(19-11-17(7-8-18(19)25)23(28)29-5-2)13-22(27)24-12-16-6-9-20-21(10-16)31-14-30-20/h6-11H,4-5,12-14H2,1-3H3/p+1