Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Metixene	1553-34-0, 1120964	4167

Structure

Other Information

Canonical SMILES	CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24
Iso SMILES	CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24
InChI	InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChI Key	MJFJKKXQDNNUJF-UHFFFAOYSA-N
Formula	C20H23NS
Mol Weight	309.468
XlogP3	4.9
Charge	0

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Synonyms Information

CAS Name	1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
IUPAC Name	1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
Openeye Name	1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
Systematic Name	1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
Tratitional Name	1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine