methyl 5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C20H28N2O5+2 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC)OC

InChI

InChI=1S/C20H26N2O5/c1-24-17-6-4-15(12-19(17)25-2)13-21-8-10-22(11-9-21)14-16-5-7-18(27-16)20(23)26-3/h4-7,12H,8-11,13-14H2,1-3H3/p+2