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

Systemtic Name: methyl 5-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H26N2O3+2 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H24N2O3/c1-26-22(25)21-10-9-19(27-21)16-24-13-11-23(12-14-24)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-10H,11-16H2,1H3/p+2