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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C=C(N1N)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C=C(N1N)C(=O)OC)C

InChI

InChI=1S/C9H12O3S.C7H12N3O2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-5-9(2)4-6(10(5)8)7(11)12-3/h4-5H,1-3H3,(H,10,11,12);4H,8H2,1-3H3/q;+1/p-1