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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-pyridylmethyl)-4-veratryl-piperazine-1,4-diium Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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