1-[(3S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-[(3S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-[(3S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[(3S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[(3S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-[(3S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-one Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCC[NH+](C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CCC(=O)[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C22H31N3O3S/c1-3-21(26)19-11-8-13-24(16-19)17-20-15-23-22(29(27,28)4-2)25(20)14-12-18-9-6-5-7-10-18/h5-7,9-10,15,19H,3-4,8,11-14,16-17H2,1-2H3/p+1/t19-/m0/s1