methyl-[(2S)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]-methyl-ammonium Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](COC1=CC=C(C=C1)OC2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO3/c1-17-11-13(18)12-19-14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13,17-18H,11-12H2,1H3/p+1/t13-/m0/s1