azanyl-methylsulfonyloxy-(3-oxidanylpropanoyl)-[phenyl(3-phenylpropoxy)methyl]azanium

Systemtic Name: azanyl-methylsulfonyloxy-(3-oxidanylpropanoyl)-[phenyl(3-phenylpropoxy)methyl]azanium Openeye Name: amino-(3-hydroxypropanoyl)-methylsulfonyloxy-[phenyl(3-phenylpropoxy)methyl]ammonium CAS Name: amino-(3-hydroxy-1-oxopropyl)-methylsulfonyloxy-[phenyl(3-phenylpropoxy)methyl]ammonium IUPAC Name: amino-(3-hydroxypropanoyl)-methylsulfonyloxy-[phenyl(3-phenylpropoxy)methyl]azanium Traditional Name: amino-(3-hydroxypropanoyl)-methylsulfonyloxy-[phenyl(3-phenylpropoxy)methyl]ammonium Formula: C20H27N2O6S+ MolecularWeight: 423.50318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O[N+](C(C1=CC=CC=C1)OCCCC2=CC=CC=C2)(C(=O)CCO)N

Isomeric SMILES

CS(=O)(=O)O[N+](C(C1=CC=CC=C1)OCCCC2=CC=CC=C2)(C(=O)CCO)N

InChI

InChI=1S/C20H27N2O6S/c1-29(25,26)28-22(21,19(24)14-15-23)20(18-12-6-3-7-13-18)27-16-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,20,23H,8,11,14-16,21H2,1H3/q+1