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

Systemtic Name: methyl (2S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H28N3O5S+ MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCCC3C(=O)OC

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C17H27N3O5S/c1-24-9-8-20-14(11-19-7-3-4-15(19)16(21)25-2)10-18-17(20)26(22,23)12-13-5-6-13/h10,13,15H,3-9,11-12H2,1-2H3/p+1/t15-/m0/s1