(+)-(5AR,10BS)-5A,10B-DIHYDRO-2-(2,4,6-TRIMETHYLPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIAZOLO[4,3-D][1,4]OXAZINIUM CHLORIDE MONOHYDRATE

CAS No.
903571-02-8
CCD No.
CCD05428850
Formula
C21 H22 N3 O . Cl . H2 O
MolWeight
385.893

Basic Information

Product Name: (+)-(5AR,10BS)-5A,10B-DIHYDRO-2-(2,4,6-TRIMETHYLPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIAZOLO[4,3-D][1,4]OXAZINIUM CHLORIDE MONOHYDRATE
CAS: 903571-02-8
English Synonyms: (+)-(5AR,10BS)-5A,10B-DIHYDRO-2-(2,4,6-TRIMETHYLPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIAZOLO[4,3-D][1,4]OXAZINIUM CHLORIDE MONOHYDRATE ; (+)-(5AR,10BS)-5A,10B-DIHYDRO-2-MESITYL-4H,6H-INDENO[2,1-B][1,2,4]TRIAZOLO[4,3-D][1,4]OXAZINIUM CHLORIDE MONOHYDRATE
MDL Number.: MFCD20265585
H bond acceptor: 4
H bond donor: 0
Smile: Cc1cc(c(c(c1)C)n2c[n+]3c(n2)CO[C@H]4[C@@H]3c5ccccc5C4)C.O.[Cl-]
InChi: InChI=1S/C21H22N3O.ClH.H2O/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;1H2/q+1;;/p-1/t18-,21+;;/m1../s1
InChiKey: InChIKey=DFFDIRURHBNRTR-UITHODHBSA-M

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