methyl 1,3-bis(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate chloride

Systemtic Name: methyl 1,3-bis(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate chloride Openeye Name: methyl 1,3-bis(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate chloride CAS Name: 1,3-bis(2-hydroxyethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 1,3-bis(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate chloride Traditional Name: 1,3-bis(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester chloride Formula: C14H19ClN2O4 MolecularWeight: 314.76466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCO)C=C(C=C2)C(=O)OC)CCO.[Cl-]

Isomeric SMILES

CC1=[N+](C2=C(N1CCO)C=C(C=C2)C(=O)OC)CCO.[Cl-]

InChI

InChI=1S/C14H19N2O4.ClH/c1-10-15(5-7-17)12-4-3-11(14(19)20-2)9-13(12)16(10)6-8-18;/h3-4,9,17-18H,5-8H2,1-2H3;1H/q+1;/p-1