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

Systemtic Name: ethyl 1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H30N3O4S+ MolecularWeight: 372.5028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(N2CC(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(N2CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C17H29N3O4S/c1-5-24-16(21)14-6-8-19(9-7-14)12-15-10-18-17(25(4,22)23)20(15)11-13(2)3/h10,13-14H,5-9,11-12H2,1-4H3/p+1