methyl (2S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H26N3O4S+ MolecularWeight: 344.44964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCC2C(=O)OC

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C15H25N3O4S/c1-11(2)9-18-12(8-16-15(18)23(4,20)21)10-17-7-5-6-13(17)14(19)22-3/h8,11,13H,5-7,9-10H2,1-4H3/p+1/t13-/m0/s1