Compound C27H37ClN2O9

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

CAS: 991-30-0

Molecular Formula	`C27H37ClN2O9`
Molecular Weight	569.0 g/mol
Topological Polar Surface Area	106.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	568.21875
Heavy Atoms	39
Complexity	720.0

Chemical Identifiers

CAS Number	991-30-0
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-]`
InChIKey	`OLWQKSDKYHVLAF-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H37ClN2O9 (CAS: 991-30-0) is a chemical compound with molecular formula C27H37ClN2O9 and molecular weight 569.0 g/mol. Its IUPAC systematic name is 1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride. Topological Polar Surface Area 106.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 10 Rotatable Bonds 12 Exact Mass 568.21875 Heavy Atoms 39 Complexity 720.0 InChI Key: OLWQKSDKYHVLAF-UHFFFAOYSA-N. 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-].

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