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

Systemtic Name: [5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-phenethyl-azanium Openeye Name: [5-(4-methoxycarbonylphenyl)-2-furyl]methyl-phenethyl-ammonium CAS Name: [5-(4-methoxycarbonylphenyl)-2-furanyl]methyl-phenethylammonium IUPAC Name: [5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-phenethylazanium Traditional Name: [5-(4-carbomethoxyphenyl)-2-furyl]methyl-phenethyl-ammonium Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-24-21(23)18-9-7-17(8-10-18)20-12-11-19(25-20)15-22-14-13-16-5-3-2-4-6-16/h2-12,22H,13-15H2,1H3/p+1