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

Systemtic Name: methyl (2S)-1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H32N3O5S+ MolecularWeight: 402.52878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCC2C(=O)OC

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C18H31N3O5S/c1-14(2)7-11-27(23,24)18-19-12-15(21(18)9-10-25-3)13-20-8-5-6-16(20)17(22)26-4/h12,14,16H,5-11,13H2,1-4H3/p+1/t16-/m0/s1