2-adamantyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium

Systemtic Name: 2-adamantyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Openeye Name: 2-adamantyl-[[5-(4-ethoxycarbonylphenyl)-2-furyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Traditional Name: 2-adamantyl-[[5-(4-carbethoxyphenyl)-2-furyl]methyl]ammonium Formula: C24H30NO3+ MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO3/c1-2-27-24(26)18-5-3-17(4-6-18)22-8-7-21(28-22)14-25-23-19-10-15-9-16(12-19)13-20(23)11-15/h3-8,15-16,19-20,23,25H,2,9-14H2,1H3/p+1