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

Systemtic Name: [(3S)-1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCC(C3)CO

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)CO

InChI

InChI=1S/C19H27N3O3S/c1-2-26(24,25)19-20-11-18(14-21-10-6-9-17(12-21)15-23)22(19)13-16-7-4-3-5-8-16/h3-5,7-8,11,17,23H,2,6,9-10,12-15H2,1H3/p+1/t17-/m0/s1