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

Systemtic Name: methyl 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H34N3O5S+ MolecularWeight: 416.55536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C19H33N3O5S/c1-19(2,3)14-28(24,25)18-20-12-16(22(18)10-11-26-4)13-21-8-6-15(7-9-21)17(23)27-5/h12,15H,6-11,13-14H2,1-5H3/p+1