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

Systemtic Name: 2-[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCCC3CCO

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC[C@H]3CCO

InChI

InChI=1S/C21H31N3O3S/c1-2-28(26,27)21-22-16-20(17-23-13-7-6-10-19(23)12-15-25)24(21)14-11-18-8-4-3-5-9-18/h3-5,8-9,16,19,25H,2,6-7,10-15,17H2,1H3/p+1/t19-/m0/s1