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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-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(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

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