7-[[(2S)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]heptanoate

Systemtic Name: 7-[[(2S)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]heptanoate Openeye Name: 7-[[(2S)-2-hydroxy-3-phenoxy-propyl]ammonio]heptanoate CAS Name: 7-[[(2S)-2-hydroxy-3-phenoxypropyl]ammonio]heptanoate IUPAC Name: 7-[[(2S)-2-hydroxy-3-phenoxypropyl]azaniumyl]heptanoate Traditional Name: 7-[[(2S)-2-hydroxy-3-phenoxy-propyl]ammonio]enanthate Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH2+]CCCCCCC(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@H](C[NH2+]CCCCCCC(=O)[O-])O

InChI

InChI=1S/C16H25NO4/c18-14(13-21-15-8-4-3-5-9-15)12-17-11-7-2-1-6-10-16(19)20/h3-5,8-9,14,17-18H,1-2,6-7,10-13H2,(H,19,20)/t14-/m0/s1