(4-ethoxycarbonylphenyl)-methyl-(2-octoxyethanoylamino)-(phenylcarbonyl)azanium

Systemtic Name: (4-ethoxycarbonylphenyl)-methyl-(2-octoxyethanoylamino)-(phenylcarbonyl)azanium Openeye Name: benzoyl-(4-ethoxycarbonylphenyl)-methyl-[(2-octoxyacetyl)amino]ammonium CAS Name: benzoyl-(4-ethoxycarbonylphenyl)-methyl-[(2-octoxy-1-oxoethyl)amino]ammonium IUPAC Name: benzoyl-(4-ethoxycarbonylphenyl)-methyl-[(2-octoxyacetyl)amino]azanium Traditional Name: benzoyl-(4-carbethoxyphenyl)-methyl-[(2-octoxyacetyl)amino]ammonium Formula: C27H37N2O5+ MolecularWeight: 469.59308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)OCC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)OCC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H36N2O5/c1-4-6-7-8-9-13-20-33-21-25(30)28-29(3,26(31)22-14-11-10-12-15-22)24-18-16-23(17-19-24)27(32)34-5-2/h10-12,14-19H,4-9,13,20-21H2,1-3H3/p+1