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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2,4-dimethoxybenzyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C19H28N3O2+3 MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-23-18-6-5-17(19(12-18)24-2)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+3