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[3-chloranyl-2-(phenylcarbonyloxy)propyl]-tripentyl-azanium chloride

Systemtic Name:	[3-chloranyl-2-(phenylcarbonyloxy)propyl]-tripentyl-azanium chloride
Openeye Name:	(2-benzoyloxy-3-chloro-propyl)-tripentyl-ammonium chloride
CAS Name:	(2-benzoyloxy-3-chloropropyl)-tripentylammonium chloride
IUPAC Name:	(2-benzoyloxy-3-chloropropyl)-tripentylazanium chloride
Traditional Name:	triamyl-(2-benzoyloxy-3-chloro-propyl)ammonium chloride
Formula:	C₂₅H₄₃Cl₂NO₂
MolecularWeight:	460.52042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](CCCCC)(CCCCC)CC(CCl)OC(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCC[N+](CCCCC)(CCCCC)CC(CCl)OC(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C25H43ClNO2.ClH/c1-4-7-13-18-27(19-14-8-5-2,20-15-9-6-3)22-24(21-26)29-25(28)23-16-11-10-12-17-23;/h10-12,16-17,24H,4-9,13-15,18-22H2,1-3H3;1H/q+1;/p-1

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