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

Systemtic Name: 1-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl]ammonium CAS Name: 1-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl]azanium Traditional Name: 1-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+]C34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]C34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

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