4-[ethanoyl-methyl-(2-octoxyethanoylamino)azaniumyl]benzoate

Systemtic Name: 4-[ethanoyl-methyl-(2-octoxyethanoylamino)azaniumyl]benzoate Openeye Name: 4-[acetyl-methyl-[(2-octoxyacetyl)amino]ammonio]benzoate CAS Name: 4-[acetyl-methyl-[(2-octoxy-1-oxoethyl)amino]ammonio]benzoate IUPAC Name: 4-[acetyl-methyl-[(2-octoxyacetyl)amino]azaniumyl]benzoate Traditional Name: 4-[acetyl-methyl-[(2-octoxyacetyl)amino]ammonio]benzoate Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)[O-])C(=O)C

Isomeric SMILES

CCCCCCCCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)[O-])C(=O)C

InChI

InChI=1S/C20H30N2O5/c1-4-5-6-7-8-9-14-27-15-19(24)21-22(3,16(2)23)18-12-10-17(11-13-18)20(25)26/h10-13H,4-9,14-15H2,1-3H3,(H-,21,24,25,26)