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

Systemtic Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-furylmethyl)piperazine-1,4-diium CAS Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-furanylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3,5-dimethoxybenzyl)-4-(2-furfuryl)piperazine-1,4-diium Formula: C18H26N2O3+2 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CO3)OC

InChI

InChI=1S/C18H24N2O3/c1-21-17-10-15(11-18(12-17)22-2)13-19-5-7-20(8-6-19)14-16-4-3-9-23-16/h3-4,9-12H,5-8,13-14H2,1-2H3/p+2