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633-65-8

633-65-8 | Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride

CAS No: 633-65-8 Catalog No: AG00IB6S MDL No:MFCD00011939

Product Description

Catalog Number:
AG00IB6S
Chemical Name:
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride
CAS Number:
633-65-8
Molecular Formula:
C20H22ClNO6
Molecular Weight:
407.8448
MDL Number:
MFCD00011939
IUPAC Name:
16,17-dimethoxy-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
InChI:
InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
InChI Key:
VKJGBAJNNALVAV-UHFFFAOYSA-M
SMILES:
COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1.O.O.[Cl-]
EC Number:
211-195-9
UNII:
UOT4O1BYV8

Properties

Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.092g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.817g/mol
Monoisotopic Mass:
371.092g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

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