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

Systemtic Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cycloheptyl-azanium Openeye Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl-cycloheptyl-ammonium CAS Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl-cycloheptylammonium IUPAC Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cycloheptylazanium Traditional Name: cycloheptyl-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl]ammonium Formula: C22H28NO5+ MolecularWeight: 386.46142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3CCCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3CCCCCC3)C(=O)OC

InChI

InChI=1S/C22H27NO5/c1-26-21(24)16-11-15(12-17(13-16)22(25)27-2)20-10-9-19(28-20)14-23-18-7-5-3-4-6-8-18/h9-13,18,23H,3-8,14H2,1-2H3/p+1