Primary record
C21H25IN2O
- CAS
- 2084-41-5
- PubChem CID
- 131664593
- SMILES
- CC[N+]12CC[C@@]34[C@@H]1C[C@@H](/C(=C\C)/C2)C(=C[O-])C3=NC5=CC=CC=C45.I
- Molecular Formula
- C21H25IN2O
- Molecular Weight
- 448.348
- Exact Mass
- 448.1012
- InChI
- InChI=1S/C21H24N2O.HI/c1-3-14-12-23(4-2)10-9-21-17-7-5-6-8-18(17)22-20(21)16(13-24)15(14)11-19(21)23;/h3,5-8,13,15,19H,4,9-12H2,1-2H3;1H/b14-3-;/t15-,19-,21+,23?;/m0./s1
- InChIKey
- TWGQYSSSFLKEIP-JRHHXLOWSA-N
- LogP
- 3.4615
- TPSA
- 35.42
Names and synonyms
- C21H25IN2O
- 2084-41-5