3-[2-(carboxymethyloxy)ethanoyloxy]propyl-(4-methoxyphenyl)-diphenyl-azanium

Systemtic Name: 3-[2-(carboxymethyloxy)ethanoyloxy]propyl-(4-methoxyphenyl)-diphenyl-azanium Openeye Name: 3-[2-(carboxymethyloxy)acetyl]oxypropyl-(4-methoxyphenyl)-diphenyl-ammonium CAS Name: 3-[2-(carboxymethyloxy)-1-oxoethoxy]propyl-(4-methoxyphenyl)-diphenylammonium IUPAC Name: 3-[2-(carboxymethyloxy)acetyl]oxypropyl-(4-methoxyphenyl)-diphenylazanium Traditional Name: 3-[2-(carboxymethyloxy)acetyl]oxypropyl-(4-methoxyphenyl)-diphenyl-ammonium Formula: C26H28NO6+ MolecularWeight: 450.50362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+](CCCOC(=O)COCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[N+](CCCOC(=O)COCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO6/c1-31-24-15-13-23(14-16-24)27(21-9-4-2-5-10-21,22-11-6-3-7-12-22)17-8-18-33-26(30)20-32-19-25(28)29/h2-7,9-16H,8,17-20H2,1H3/p+1