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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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