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

Systemtic Name: (3S)-1-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-26-10-11-27(24,25)19-20-12-17(14-21-9-5-8-18(23)15-21)22(19)13-16-6-3-2-4-7-16/h2-4,6-7,12,18,23H,5,8-11,13-15H2,1H3/p+1/t18-/m0/s1