1-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium chloride

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium chloride Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium chloride CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium chloride IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium chloride Traditional Name: 1-(2,5-dimethoxybenzyl)piperazin-4-ium chloride Formula: C13H21ClN2O2 MolecularWeight: 272.77104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CC[NH2+]CC2.[Cl-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CC[NH2+]CC2.[Cl-]

InChI

InChI=1S/C13H20N2O2.ClH/c1-16-12-3-4-13(17-2)11(9-12)10-15-7-5-14-6-8-15;/h3-4,9,14H,5-8,10H2,1-2H3;1H