Chemical ID: 6718254

CC1c2cc(c(cc2CCN1C(=O)C[NH+]3CCOCC3)OC)OC
Chemical ID:
6718254
Name [?]:
1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxa-4-azoniacyclohex-4-yl)ethanone
SMILES [?]:
CC1c2cc(c(cc2CCN1C(=O)C[NH+]3CCOCC3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H27N2O4+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-25.2967
Area:521.333
Solvation:-38.3301
Coulombic:-3.21468
Bond Count [?]
All:26
Single:22
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.418
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.62
LogP (Chemaxon):0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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