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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(3-pyridylmethyl)piperazine-1,4-diium Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H25N3O2/c1-23-18-5-6-19(24-2)17(12-18)15-22-10-8-21(9-11-22)14-16-4-3-7-20-13-16/h3-7,12-13H,8-11,14-15H2,1-2H3/p+2