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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

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