ethyl 2-azanyl-1-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 2-azanyl-1-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 2-amino-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylate bromide CAS Name: 2-amino-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)-2-oxolanyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-amino-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 2-amino-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C34H31BrN2O9 MolecularWeight: 691.52194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=CC=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N.[Br-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=CC=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N.[Br-]

InChI

InChI=1S/C34H30N2O9.BrH/c1-2-41-34(40)25-19-12-20-36(29(25)35)30-28(45-33(39)24-17-10-5-11-18-24)27(44-32(38)23-15-8-4-9-16-23)26(43-30)21-42-31(37)22-13-6-3-7-14-22;/h3-20,26-28,30,35H,2,21H2,1H3;1H