[2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate chloride

CAS: 102585-50-2

Molecular Formula	`C27H31ClN2O2`
Molecular Weight	451.0 g/mol
Topological Polar Surface Area	34.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	450.2074
Heavy Atoms	32
Complexity	509.0

Chemical Identifiers

CAS Number	102585-50-2
SMILES	`C[NH+]1CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]`
InChIKey	`FNXCLQJRWQGPPM-UHFFFAOYSA-N`

📖 Product Overview

[2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate chloride (CAS: 102585-50-2) is a chemical compound with molecular formula C27H31ClN2O2 and molecular weight 451.0 g/mol. Its IUPAC systematic name is [2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate chloride. Topological Polar Surface Area 34.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 450.2074 Heavy Atoms 32 Complexity 509.0 InChI Key: FNXCLQJRWQGPPM-UHFFFAOYSA-N. SMILES: C[NH+]1CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].

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