(4-methoxyphenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride
(4-methoxyphenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride
| Molecular Formula | C21H21ClN2O4 |
|---|---|
| Molecular Weight | 400.9 g/mol |
| Topological Polar Surface Area | 54.1 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.119 |
| Heavy Atoms | 28 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 50280-00-7 |
|---|---|
| SMILES | C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)OC)OCO4.[Cl-] |
| InChIKey | PSEVMFYRGPTEEZ-UHFFFAOYSA-N |
📖 Product Overview
(4-methoxyphenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride (CAS: 50280-00-7) is a chemical compound with molecular formula C21H21ClN2O4 and molecular weight 400.9 g/mol. Its IUPAC systematic name is (4-methoxyphenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride.
PSEVMFYRGPTEEZ-UHFFFAOYSA-N.
SMILES: C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)OC)OCO4.[Cl-].
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