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119420-08-5 | Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6,8,13-tetrahydro-9,10-dimethoxy-, hydroxide (9CI)
CAS No: 119420-08-5 Catalog No: AG000IQX MDL No:
Product Description
Catalog Number:
AG000IQX
Chemical Name:
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6,8,13-tetrahydro-9,10-dimethoxy-, hydroxide (9CI)
CAS Number:
119420-08-5
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
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),9,15(20),16,18-heptaene;hydroxide
InChI:
InChI=1S/C20H20NO4.H2O/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;/h3-4,8-9H,5-7,10-11H2,1-2H3;1H2/q+1;/p-1
InChI Key:
WXKFWDFORAXLOD-UHFFFAOYSA-M
SMILES:
COc1c(OC)ccc2c1C[N+]1=C(C2)c2c(CC1)cc1c(c2)OCO1.[OH-]
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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