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

Systemtic Name: methyl 5-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H30N2O5+2 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC)OC)OC

InChI

InChI=1S/C21H28N2O5/c1-15-11-19(25-2)20(26-3)12-16(15)13-22-7-9-23(10-8-22)14-17-5-6-18(28-17)21(24)27-4/h5-6,11-12H,7-10,13-14H2,1-4H3/p+2