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(4-carboxyphenyl)-ethanoyl-methyl-(2-octoxyethanoylamino)azanium

(4-carboxyphenyl)-ethanoyl-methyl-(2-octoxyethanoylamino)azanium

Systemtic Name:(4-carboxyphenyl)-ethanoyl-methyl-(2-octoxyethanoylamino)azanium
Openeye Name:acetyl-(4-carboxyphenyl)-methyl-[(2-octoxyacetyl)amino]ammonium
CAS Name:acetyl-(4-carboxyphenyl)-methyl-[(2-octoxy-1-oxoethyl)amino]ammonium
IUPAC Name:acetyl-(4-carboxyphenyl)-methyl-[(2-octoxyacetyl)amino]azanium
Traditional Name:acetyl-(4-carboxyphenyl)-methyl-[(2-octoxyacetyl)amino]ammonium
Formula: C20H31N2O5+
MolecularWeight: 379.47054
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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)/p+1


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