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

Systemtic Name: 2-[1-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]ethanol Openeye Name: 2-[1-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]ethanol CAS Name: 2-[1-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-4-piperidin-1-iumyl]ethanol IUPAC Name: 2-[1-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]ethanol Traditional Name: 2-[1-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]ethanol Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(CC3)CCO

Isomeric SMILES

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(CC3)CCO

InChI

InChI=1S/C21H31N3O4S/c1-28-13-14-29(26,27)21-22-15-20(24(21)16-19-5-3-2-4-6-19)17-23-10-7-18(8-11-23)9-12-25/h2-6,15,18,25H,7-14,16-17H2,1H3/p+1