2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutyl]carbonyloxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutyl]carbonyloxyethyl-trimethyl-azanium Openeye Name: 2-[2,4-diphenyl-3-[2-(trimethylammonio)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethyl-ammonium CAS Name: trimethyl-[2-[oxo-[3-[oxo-[2-(trimethylammonio)ethoxy]methyl]-2,4-diphenylcyclobutyl]methoxy]ethyl]ammonium IUPAC Name: 2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethylazanium Traditional Name: 2-[2,4-diphenyl-3-[2-(trimethylammonio)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethyl-ammonium Formula: C28H40N2O4+2 MolecularWeight: 468.6282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCC[N+](C)(C)C)C3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCC[N+](C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C28H40N2O4/c1-29(2,3)17-19-33-27(31)25-23(21-13-9-7-10-14-21)26(24(25)22-15-11-8-12-16-22)28(32)34-20-18-30(4,5)6/h7-16,23-26H,17-20H2,1-6H3/q+2