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

Systemtic Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl-(2-thienylmethyl)ammonium CAS Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl-(2-thenyl)ammonium Formula: C20H20NO5S+ MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=CS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H19NO5S/c1-24-19(22)14-8-13(9-15(10-14)20(23)25-2)18-6-5-16(26-18)11-21-12-17-4-3-7-27-17/h3-10,21H,11-12H2,1-2H3/p+1