ethyl 2-[(3R)-4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]morpholin-4-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3R)-4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]morpholin-4-ium-3-yl]ethanoate Openeye Name: ethyl 2-[(3R)-4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]morpholin-4-ium-3-yl]acetate CAS Name: 2-[(3R)-4-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-3-morpholin-4-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-4-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]morpholin-4-ium-3-yl]acetate Traditional Name: 2-[(3R)-4-[(3-butyl-2-esyl-imidazol-4-yl)methyl]morpholin-4-ium-3-yl]acetic acid ethyl ester Formula: C18H32N3O5S+ MolecularWeight: 402.52878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCOCC2CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O5S/c1-4-7-8-21-16(12-19-18(21)27(23,24)6-3)13-20-9-10-25-14-15(20)11-17(22)26-5-2/h12,15H,4-11,13-14H2,1-3H3/p+1/t15-/m1/s1