cyclooctyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium

Systemtic Name: cyclooctyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium Openeye Name: cyclooctyl-[[5-(4-methoxycarbonylphenyl)-2-furyl]methyl]ammonium CAS Name: cyclooctyl-[[5-(4-methoxycarbonylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: cyclooctyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(4-carbomethoxyphenyl)-2-furyl]methyl-cyclooctyl-ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C3CCCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H27NO3/c1-24-21(23)17-11-9-16(10-12-17)20-14-13-19(25-20)15-22-18-7-5-3-2-4-6-8-18/h9-14,18,22H,2-8,15H2,1H3/p+1