1-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride

Systemtic Name: 1-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride Openeye Name: [1-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl] 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid 1-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-1-iumyl]propan-2-yl ester chloride IUPAC Name: 1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid [1-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl] ester chloride Formula: C27H37ClN2O9 MolecularWeight: 569.04368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]

InChI

InChI=1S/C27H36N2O9.ClH/c1-17(38-27(31)19-14-22(34-4)25(37-7)23(15-19)35-5)16-28-8-10-29(11-9-28)26(30)18-12-20(32-2)24(36-6)21(13-18)33-3;/h12-15,17H,8-11,16H2,1-7H3;1H