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

Systemtic Name: 2-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[[5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methylammonio]ethyl-diethylammonium IUPAC Name: 2-[[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methylammonio]ethyl-diethyl-ammonium Formula: C21H30N2O5+2 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-5-23(6-2)10-9-22-14-18-7-8-19(28-18)15-11-16(20(24)26-3)13-17(12-15)21(25)27-4/h7-8,11-13,22H,5-6,9-10,14H2,1-4H3/p+2