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

Systemtic Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclohexyl-azanium Openeye Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl-cyclohexyl-ammonium CAS Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl-cyclohexylammonium IUPAC Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclohexylazanium Traditional Name: cyclohexyl-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl]ammonium Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H25NO5/c1-25-20(23)15-10-14(11-16(12-15)21(24)26-2)19-9-8-18(27-19)13-22-17-6-4-3-5-7-17/h8-12,17,22H,3-7,13H2,1-2H3/p+1