methyl 3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: methyl 3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium-5-carboxylate iodide Openeye Name: methyl 1-benzyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 3-ethyl-2-methyl-1-(phenylmethyl)-5-benzimidazol-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1-benzyl-3-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1-benzyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester iodide Formula: C19H21IN2O2 MolecularWeight: 436.28671

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)CC3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)CC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C19H21N2O2.HI/c1-4-20-14(2)21(13-15-8-6-5-7-9-15)17-11-10-16(12-18(17)20)19(22)23-3;/h5-12H,4,13H2,1-3H3;1H/q+1;/p-1