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

Systemtic Name: methyl 5-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]furan-3-carboxylic acid methyl ester Formula: C20H28N2O4+2 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C20H26N2O4/c1-15-19(20(23)25-3)12-18(26-15)14-22-10-8-21(9-11-22)13-16-4-6-17(24-2)7-5-16/h4-7,12H,8-11,13-14H2,1-3H3/p+2