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rel-(5aS,10bR)-2-Mesityl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride

Catalog Number ACM2041584056
CAS 2041584-05-6
Synonyms [5a-S,10b-R]-2-(2,4,6-Trimethyl-phenyl)-2,5a,6,10b-tetrahydro-4H-5-oxa-2,3-diaza-10c-azonia-cyclopenta[c]fluorenechloride
IUPAC Name (1R,9S)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;chloride
Molecular Weight 367.87
Molecular Formula C21H22ClN3O
InChI GUECWMLEUCWYOS-OZYANKIXSA-M
InChI Key InChI=1S/C21H22N3O.ClH/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23;/h4-9,12,18,21H,10-11H2,1-3H3;1H/q+1;/p-1/t18-,21+;/m0./s1
Purity 98%+
Isomeric SMILES CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@H]4[C@H](CC5=CC=CC=C45)OCC3=N2)C.[Cl-]

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