RefChem:1087789
1-[(1E,3E,5Z)-5-(3,4-dihydro-2H-isoquinolin-2-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride
Also Known As: Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)- 2,4-pentadienylidene)-, chloride, hydrate|Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)-2,4-pentadienylidene)-, chloride, hydrate|ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-1-(5-(1,2,3,4-TETRAHYDROQUINOLYL)-2,4-PENTADI|1-[(1E,3E,5Z)-5-(3,4-dihydro-2H-isoquinolin-2-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride|Quinoline, 1-[5-(3,4-dihydro-1(2H)-isoquinolinylidene)-1,3-pentadienyl]-1,2,3,4-tetrahydro-, monohydrochloride, monohydrate
| Molecular Formula | C23H25ClN2 |
|---|---|
| Molecular Weight | 364.17062 g/mol |
| LogP | 0.6737 |
| Topological Polar Surface Area | 19.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.17062 |
| Monoisotopic Mass | 364.17062 |
| Heavy Atoms | 26 |
| Complexity | 835.6064 |
Chemical Identifiers
| CAS Number | 72017-52-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)/C=C/C=C/C=C\3/C4=CC=CC=C4CC[NH2+]3.[Cl-] |
Product Overview
RefChem:1087789 (CAS 72017-52-8), with molecular formula C23H25ClN2 and molecular weight 364.17062 g/mol. IUPAC: 1-[(1E,3E,5Z)-5-(3,4-dihydro-2H-isoquinolin-2-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride.