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

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

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

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