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

Systemtic Name: 2-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl]azanium Openeye Name: 2-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl]azanium Traditional Name: 2-adamantyl-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl]ammonium Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5)C(=O)OC

InChI

InChI=1S/C25H29NO5/c1-29-24(27)19-10-16(11-20(12-19)25(28)30-2)22-4-3-21(31-22)13-26-23-17-6-14-5-15(8-17)9-18(23)7-14/h3-4,10-12,14-15,17-18,23,26H,5-9,13H2,1-2H3/p+1