ethyl 1-ethyl-2-methyl-3-prop-2-enyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-prop-2-enyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-allyl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-prop-2-enyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-prop-2-enylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-allyl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC=C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC=C)C

InChI

InChI=1S/C16H21N2O2/c1-5-10-18-12(4)17(6-2)14-9-8-13(11-15(14)18)16(19)20-7-3/h5,8-9,11H,1,6-7,10H2,2-4H3/q+1