azanium 2-[(2-azanyl-2-oxidanylidene-ethyl)-(3,5-didecoxyphenyl)amino]ethanoate

Systemtic Name: azanium 2-[(2-azanyl-2-oxidanylidene-ethyl)-(3,5-didecoxyphenyl)amino]ethanoate Openeye Name: ammonium 2-(N-(2-amino-2-oxo-ethyl)-3,5-didecoxy-anilino)acetate CAS Name: ammonium 2-(N-(2-amino-2-oxoethyl)-3,5-didecoxyanilino)acetate IUPAC Name: azanium 2-(N-(2-amino-2-oxoethyl)-3,5-didecoxyanilino)acetate Traditional Name: ammonium 2-(N-(2-amino-2-keto-ethyl)-3,5-didecoxy-anilino)acetate Formula: C30H55N3O5 MolecularWeight: 537.7748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)N)CC(=O)[O-])OCCCCCCCCCC.[NH4+]

Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)N)CC(=O)[O-])OCCCCCCCCCC.[NH4+]

InChI

InChI=1S/C30H52N2O5.H3N/c1-3-5-7-9-11-13-15-17-19-36-27-21-26(32(24-29(31)33)25-30(34)35)22-28(23-27)37-20-18-16-14-12-10-8-6-4-2;/h21-23H,3-20,24-25H2,1-2H3,(H2,31,33)(H,34,35);1H3