ethyl (2R)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)-4-imidazolyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C21H36N3O5S+ MolecularWeight: 442.59264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CN=C(N2CCCOC)S(=O)(=O)C3CCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CN=C(N2CCCOC)S(=O)(=O)C3CCCC3

InChI

InChI=1S/C21H35N3O5S/c1-3-29-20(25)19-11-6-7-12-23(19)16-17-15-22-21(24(17)13-8-14-28-2)30(26,27)18-9-4-5-10-18/h15,18-19H,3-14,16H2,1-2H3/p+1/t19-/m1/s1