CAS | 29133-52-6 |
Structure | |
IUPAC Name | 3,16,17-trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride |
Molecular Weight | 401.84 |
Molecular Formula | C21H20ClNO5 |
Canonical SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C5=C(C=C4CC3)OCO5)OC)OC.[Cl-] |
InChI | InChI=1S/C21H20NO5.ClH/c1-23-16-5-4-12-8-15-18-13(6-7-22(15)10-14(12)19(16)24-2)9-17-20(21(18)25-3)27-11-26-17;/h4-5,8-10H,6-7,11H2,1-3H3;1H/q+1;/p-1 |
InChI Key | IBMPNZBFNHPRMY-UHFFFAOYSA-M |
Purity | 98% |
Appearance | Solid |
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