[2-[4-acetyloxy-3-(acetyloxymethyl)phenyl]-2-oxidanyl-ethyl]-dimethyl-[2-(2-phenoxyethanoylamino)ethyl]azanium

Systemtic Name: [2-[4-acetyloxy-3-(acetyloxymethyl)phenyl]-2-oxidanyl-ethyl]-dimethyl-[2-(2-phenoxyethanoylamino)ethyl]azanium Openeye Name: [2-[4-acetoxy-3-(acetoxymethyl)phenyl]-2-hydroxy-ethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]ammonium CAS Name: [2-[4-acetyloxy-3-(acetyloxymethyl)phenyl]-2-hydroxyethyl]-dimethyl-[2-[(1-oxo-2-phenoxyethyl)amino]ethyl]ammonium IUPAC Name: [2-[4-acetyloxy-3-(acetyloxymethyl)phenyl]-2-hydroxyethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]azanium Traditional Name: [2-[4-acetoxy-3-(acetoxymethyl)phenyl]-2-hydroxy-ethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]ammonium Formula: C25H33N2O7+ MolecularWeight: 473.53872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)C(C[N+](C)(C)CCNC(=O)COC2=CC=CC=C2)O)OC(=O)C

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)C(C[N+](C)(C)CCNC(=O)COC2=CC=CC=C2)O)OC(=O)C

InChI

InChI=1S/C25H32N2O7/c1-18(28)32-16-21-14-20(10-11-24(21)34-19(2)29)23(30)15-27(3,4)13-12-26-25(31)17-33-22-8-6-5-7-9-22/h5-11,14,23,30H,12-13,15-17H2,1-4H3/p+1