[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclooctyl-azanium

Systemtic Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclooctyl-azanium Openeye Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl-cyclooctyl-ammonium CAS Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl-cyclooctylammonium IUPAC Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclooctylazanium Traditional Name: cyclooctyl-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl]ammonium Formula: C23H30NO5+ MolecularWeight: 400.488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3CCCCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3CCCCCCC3)C(=O)OC

InChI

InChI=1S/C23H29NO5/c1-27-22(25)17-12-16(13-18(14-17)23(26)28-2)21-11-10-20(29-21)15-24-19-8-6-4-3-5-7-9-19/h10-14,19,24H,3-9,15H2,1-2H3/p+1