ethyl (2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H32N3O4S+ MolecularWeight: 386.52938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCCC2C(=O)OCC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCC[C@H]2C(=O)OCC

InChI

InChI=1S/C18H31N3O4S/c1-4-7-12-21-15(13-19-18(21)26(23,24)6-3)14-20-11-9-8-10-16(20)17(22)25-5-2/h13,16H,4-12,14H2,1-3H3/p+1/t16-/m0/s1