(4-methoxycarbonylphenyl)-methyl-(2-octoxyethanoylamino)-(phenylmethyl)azanium

Systemtic Name: (4-methoxycarbonylphenyl)-methyl-(2-octoxyethanoylamino)-(phenylmethyl)azanium Openeye Name: benzyl-(4-methoxycarbonylphenyl)-methyl-[(2-octoxyacetyl)amino]ammonium CAS Name: (4-methoxycarbonylphenyl)-methyl-[(2-octoxy-1-oxoethyl)amino]-(phenylmethyl)ammonium IUPAC Name: benzyl-(4-methoxycarbonylphenyl)-methyl-[(2-octoxyacetyl)amino]azanium Traditional Name: benzyl-(4-carbomethoxyphenyl)-methyl-[(2-octoxyacetyl)amino]ammonium Formula: C26H37N2O4+ MolecularWeight: 441.58298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(=O)N[N+](C)(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCOCC(=O)N[N+](C)(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C26H36N2O4/c1-4-5-6-7-8-12-19-32-21-25(29)27-28(2,20-22-13-10-9-11-14-22)24-17-15-23(16-18-24)26(30)31-3/h9-11,13-18H,4-8,12,19-21H2,1-3H3/p+1