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

Systemtic Name: 1-(pyridin-3-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(3-pyridylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(3-pyridinylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(pyridin-3-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-pyridylmethyl)-4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium Formula: C20H29N3O3+2 MolecularWeight: 359.46256

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-24-18-7-6-17(19(25-2)20(18)26-3)15-23-11-9-22(10-12-23)14-16-5-4-8-21-13-16/h4-8,13H,9-12,14-15H2,1-3H3/p+2