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

Systemtic Name: methyl 2-methyl-5-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C20H28N2O3+2 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-15-6-4-5-7-17(15)13-21-8-10-22(11-9-21)14-18-12-19(16(2)25-18)20(23)24-3/h4-7,12H,8-11,13-14H2,1-3H3/p+2