[(2S,3S)-2-(4-phenoxyphenoxy)pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-(4-phenoxyphenoxy)pentan-3-yl]azanium Openeye Name: [(1S,2S)-1-ethyl-2-(4-phenoxyphenoxy)propyl]ammonium CAS Name: [(2S,3S)-2-(4-phenoxyphenoxy)pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-(4-phenoxyphenoxy)pentan-3-yl]azanium Traditional Name: [(1S,2S)-1-ethyl-2-(4-phenoxyphenoxy)propyl]ammonium Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC1=CC=C(C=C1)OC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)OC1=CC=C(C=C1)OC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H21NO2/c1-3-17(18)13(2)19-15-9-11-16(12-10-15)20-14-7-5-4-6-8-14/h4-13,17H,3,18H2,1-2H3/p+1/t13-,17-/m0/s1