3-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium Formula: C20H28N2O5+2 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H26N2O5/c1-22(2)9-5-8-21-13-17-6-7-18(27-17)14-10-15(19(23)25-3)12-16(11-14)20(24)26-4/h6-7,10-12,21H,5,8-9,13H2,1-4H3/p+2