2-hydroxyethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]ammonium Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+](CCO)CC2=CC=CC=C2

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+](CCO)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O4S/c1-25-12-6-9-21-17(13-19-18(21)26(2,23)24)15-20(10-11-22)14-16-7-4-3-5-8-16/h3-5,7-8,13,22H,6,9-12,14-15H2,1-2H3/p+1