4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)
(11S,17S)-12-ethylidene-14-propyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde chloride
Also Known As: 17-Oxo-4-propyl-2,16,19,20-tetrahydrocuraninium chloride|Curaninium, 2,16,19,20-tetrahydro-17-oxo-4-propyl-, chloride|(11S,17S)-12-ethylidene-14-propyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde;chloride|4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)|(3aS,5S,E)-12-ethylidene-6-formyl-3-propyl-2,3,3a,4,5,7-hexahydro-1H-3,5-ethanopyrrolo[2,3-d]carbazol-3-ium chloride
| Molecular Formula | C22H27ClN2O |
|---|---|
| Molecular Weight | 370.18118 g/mol |
| LogP | 0.79 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.18118 |
| Heavy Atoms | 26 |
| Complexity | 829.2 |
Chemical Identifiers
| CAS Number | 1876-65-9 |
|---|---|
| SMILES | CCC[N+]12CCC34[C@@H]1C[C@@H](C(=CC)C2)C(=C3NC5=CC=CC=C45)C=O.[Cl-] |
Product Overview
4-Propyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) (CAS 1876-65-9), with molecular formula C22H27ClN2O and molecular weight 370.18118 g/mol. IUPAC: (11S,17S)-12-ethylidene-14-propyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde chloride.
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