ethyl 2-[(2R)-1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2R)-1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[(2R)-1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]acetic acid ethyl ester Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCCC[NH+]1CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C[C@H]1CCCC[NH+]1CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C22H31N3O4S/c1-3-29-21(26)14-19-12-8-9-13-24(19)17-20-15-23-22(30(27,28)4-2)25(20)16-18-10-6-5-7-11-18/h5-7,10-11,15,19H,3-4,8-9,12-14,16-17H2,1-2H3/p+1/t19-/m1/s1