2-hydroxyethyl-[(2S)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]azanium

Systemtic Name: 2-hydroxyethyl-[(2S)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]azanium Openeye Name: [(2S)-3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium CAS Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]ammonium IUPAC Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]azanium Traditional Name: [(2S)-3-(4-benzoxyphenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(C[NH2+]CCO)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC[C@H](C[NH2+]CCO)O

InChI

InChI=1S/C18H23NO4/c20-11-10-19-12-16(21)14-23-18-8-6-17(7-9-18)22-13-15-4-2-1-3-5-15/h1-9,16,19-21H,10-14H2/p+1/t16-/m0/s1