(2R,6S)-2,6-bis(azaniumyl)-7-oxidanylidene-7-phenylmethoxy-heptanoate

Systemtic Name: (2R,6S)-2,6-bis(azaniumyl)-7-oxidanylidene-7-phenylmethoxy-heptanoate Openeye Name: (2R,6S)-2,6-bis(azaniumyl)-7-benzyloxy-7-oxo-heptanoate CAS Name: (2R,6S)-2,6-diammonio-7-oxo-7-phenylmethoxyheptanoate IUPAC Name: (2R,6S)-2,6-bis(azaniumyl)-7-oxo-7-phenylmethoxyheptanoate Traditional Name: (2R,6S)-2,6-diammonio-7-benzoxy-7-keto-enanthate Formula: C14H21N2O4+ MolecularWeight: 281.32754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCC(C(=O)[O-])[NH3+])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCC[C@H](C(=O)[O-])[NH3+])[NH3+]

InChI

InChI=1S/C14H20N2O4/c15-11(13(17)18)7-4-8-12(16)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15-16H2,(H,17,18)/p+1/t11-,12+/m1/s1