1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-[2-oxidanyl-3-(4-phenylbutan-2-ylazaniumyl)propyl]azanium; ethanedioate

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-[2-oxidanyl-3-(4-phenylbutan-2-ylazaniumyl)propyl]azanium; ethanedioate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-[2-hydroxy-3-[(1-methyl-3-phenyl-propyl)ammonio]propyl]ammonium; oxalate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-[2-hydroxy-3-(4-phenylbutan-2-ylammonio)propyl]ammonium; oxalate IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-[2-hydroxy-3-(4-phenylbutan-2-ylazaniumyl)propyl]azanium; oxalate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-[2-hydroxy-3-[(1-methyl-3-phenyl-propyl)ammonio]propyl]ammonium; oxalate Formula: C25H34N2O7 MolecularWeight: 474.54666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC(C[NH2+]C(C)C2COC3=CC=CC=C3O2)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)[NH2+]CC(C[NH2+]C(C)C2COC3=CC=CC=C3O2)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C23H32N2O3.C2H2O4/c1-17(12-13-19-8-4-3-5-9-19)24-14-20(26)15-25-18(2)23-16-27-21-10-6-7-11-22(21)28-23;3-1(4)2(5)6/h3-11,17-18,20,23-26H,12-16H2,1-2H3;(H,3,4)(H,5,6)