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

Systemtic Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl]ammonium CAS Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl]azanium Traditional Name: benzyl-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl]ammonium Formula: C22H22NO5+ MolecularWeight: 380.41378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21NO5/c1-26-21(24)17-10-16(11-18(12-17)22(25)27-2)20-9-8-19(28-20)14-23-13-15-6-4-3-5-7-15/h3-12,23H,13-14H2,1-2H3/p+1