methyl 3-methyl-1-(2-methyl-3,4-dihydro-2H-chromen-4-yl)-1,2-dihydroimidazol-1-ium-5-carboxylate iodide

Systemtic Name: methyl 3-methyl-1-(2-methyl-3,4-dihydro-2H-chromen-4-yl)-1,2-dihydroimidazol-1-ium-5-carboxylate iodide Openeye Name: methyl 3-methyl-1-(2-methylchroman-4-yl)-1,2-dihydroimidazol-1-ium-5-carboxylate iodide CAS Name: 3-methyl-1-(2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1,2-dihydroimidazol-1-ium-5-carboxylic acid methyl ester iodide IUPAC Name: methyl 3-methyl-1-(2-methyl-3,4-dihydro-2H-chromen-4-yl)-1,2-dihydroimidazol-1-ium-5-carboxylate iodide Traditional Name: 1-methyl-3-(2-methylchroman-4-yl)-4-imidazolin-3-ium-4-carboxylic acid methyl ester iodide Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2O1)[NH+]3CN(C=C3C(=O)OC)C.[I-]

Isomeric SMILES

CC1CC(C2=CC=CC=C2O1)[NH+]3CN(C=C3C(=O)OC)C.[I-]

InChI

InChI=1S/C16H20N2O3.HI/c1-11-8-13(12-6-4-5-7-15(12)21-11)18-10-17(2)9-14(18)16(19)20-3;/h4-7,9,11,13H,8,10H2,1-3H3;1H