ethyl 1-azanyl-3-methyl-imidazol-3-ium-2-carboxylate; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: ethyl 1-azanyl-3-methyl-imidazol-3-ium-2-carboxylate; 2,4,6-trimethylbenzenesulfonate Openeye Name: ethyl 1-amino-3-methyl-imidazol-3-ium-2-carboxylate; 2,4,6-trimethylbenzenesulfonate CAS Name: 1-amino-3-methyl-2-imidazol-3-iumcarboxylic acid ethyl ester; 2,4,6-trimethylbenzenesulfonate IUPAC Name: ethyl 1-amino-3-methylimidazol-3-ium-2-carboxylate; 2,4,6-trimethylbenzenesulfonate Traditional Name: 1-amino-3-methyl-imidazol-3-ium-2-carboxylic acid ethyl ester; 2,4,6-trimethylbesylate Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C=CN1N)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=[N+](C=CN1N)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

InChI

InChI=1S/C9H12O3S.C7H11N3O2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-3-12-7(11)6-9(2)4-5-10(6)8/h4-5H,1-3H3,(H,10,11,12);4-5H,3H2,1-2H3,(H-,8,11)