(4-ethoxycarbonylphenyl)-methyl-octyl-(2-phenoxyethanoylamino)azanium

Systemtic Name: (4-ethoxycarbonylphenyl)-methyl-octyl-(2-phenoxyethanoylamino)azanium Openeye Name: (4-ethoxycarbonylphenyl)-methyl-octyl-[(2-phenoxyacetyl)amino]ammonium CAS Name: (4-ethoxycarbonylphenyl)-methyl-octyl-[(1-oxo-2-phenoxyethyl)amino]ammonium IUPAC Name: (4-ethoxycarbonylphenyl)-methyl-octyl-[(2-phenoxyacetyl)amino]azanium Traditional Name: (4-carbethoxyphenyl)-methyl-octyl-[(2-phenoxyacetyl)amino]ammonium Formula: C26H37N2O4+ MolecularWeight: 441.58298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C1=CC=C(C=C1)C(=O)OCC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC[N+](C)(C1=CC=C(C=C1)C(=O)OCC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C26H36N2O4/c1-4-6-7-8-9-13-20-28(3,23-18-16-22(17-19-23)26(30)31-5-2)27-25(29)21-32-24-14-11-10-12-15-24/h10-12,14-19H,4-9,13,20-21H2,1-3H3/p+1