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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC)OC

InChI

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