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

Systemtic Name: ethyl 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H36N3O5S+ MolecularWeight: 430.58194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(N2CCOC)S(=O)(=O)CCC(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(N2CCOC)S(=O)(=O)CCC(C)C

InChI

InChI=1S/C20H35N3O5S/c1-5-28-19(24)17-6-9-22(10-7-17)15-18-14-21-20(23(18)11-12-27-4)29(25,26)13-8-16(2)3/h14,16-17H,5-13,15H2,1-4H3/p+1