1-pyridin-1-ium-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-pyridin-1-ium-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-pyridin-1-ium-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-pyridin-1-iumyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-pyridin-1-ium-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-pyridin-1-ium-2-yl-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C19H27N3O3+2 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3O3/c1-23-16-12-15(13-17(24-2)19(16)25-3)14-21-8-10-22(11-9-21)18-6-4-5-7-20-18/h4-7,12-13H,8-11,14H2,1-3H3/p+2