4-methylbenzenesulfonic acid; 1-methyl-1-[2-[4-[2-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethylsulfanyl]butylsulfanyl]ethyl]-3,4,5,6-tetrahydro-2H-pyridine

Modify Date: 2024-09-17 20:45:02

4-methylbenzenesulfonic acid; 1-methyl-1-[2-[4-[2-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethylsulfanyl]butylsulfanyl]ethyl]-3,4,5,6-tetrahydro-2H-pyridine structure	Common Name	4-methylbenzenesulfonic acid; 1-methyl-1-[2-[4-[2-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethylsulfanyl]butylsulfanyl]ethyl]-3,4,5,6-tetrahydro-2H-pyridine
	CAS Number	17517-29-2	Molecular Weight	545.88500
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₇H₄₉N₂O₃S₃+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	4-methylbenzenesulfonate,1-methyl-1-[2-[4-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]butylsulfanyl]ethyl]piperidin-1-ium

Molecular Formula	C₂₇H₄₉N₂O₃S₃+
Molecular Weight	545.88500
Exact Mass	545.29100
PSA	116.18000
LogP	6.39150
InChIKey	GTYGOZDJWARTSK-UHFFFAOYSA-M
SMILES	C[N+]1(CCSCCCCSCC[N+]2(C)CCCCC2)CCCCC1.Cc1ccc(S(=O)(=O)[O-])cc1

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