methyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate iodide

Systemtic Name: methyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate iodide Openeye Name: methyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate iodide CAS Name: 3-ethyl-2-methyl-1-phenyl-5-benzimidazol-3-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium-5-carboxylate iodide Traditional Name: 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylic acid methyl ester iodide Formula: C18H19IN2O2 MolecularWeight: 422.26013

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)OC)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)OC)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C18H19N2O2.HI/c1-4-19-13(2)20(15-8-6-5-7-9-15)16-11-10-14(12-17(16)19)18(21)22-3;/h5-12H,4H2,1-3H3;1H/q+1;/p-1