1-(4-phenylmethoxyphenyl)piperazin-4-ium chloride

Systemtic Name: 1-(4-phenylmethoxyphenyl)piperazin-4-ium chloride Openeye Name: 1-(4-benzyloxyphenyl)piperazin-4-ium chloride CAS Name: 1-(4-phenylmethoxyphenyl)piperazin-4-ium chloride IUPAC Name: 1-(4-phenylmethoxyphenyl)piperazin-4-ium chloride Traditional Name: 1-(4-benzoxyphenyl)piperazin-4-ium chloride Formula: C17H21ClN2O MolecularWeight: 304.81444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H20N2O.ClH/c1-2-4-15(5-3-1)14-20-17-8-6-16(7-9-17)19-12-10-18-11-13-19;/h1-9,18H,10-14H2;1H