2-phenyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride

Systemtic Name: 2-phenyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride Openeye Name: 2-phenyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride CAS Name: 2-phenyl-1-[4-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumyl]ethanone chloride IUPAC Name: 2-phenyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride Traditional Name: 2-phenyl-1-[4-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-yl]ethanone chloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H26N2O4.ClH/c1-25-18-14-17(15-19(26-2)21(18)27-3)22-9-11-23(12-10-22)20(24)13-16-7-5-4-6-8-16;/h4-8,14-15H,9-13H2,1-3H3;1H