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

Systemtic Name: 1-(5-chloranylpyridin-2-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-pyridyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-pyridinyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chloropyridin-2-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-pyridyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C19H25ClN3O3+ MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C19H24ClN3O3/c1-24-16-6-4-14(18(25-2)19(16)26-3)13-22-8-10-23(11-9-22)17-7-5-15(20)12-21-17/h4-7,12H,8-11,13H2,1-3H3/p+1