Chemical ID: 3967473

Cc1ccc(o1)C[N+](C)(C)C
Chemical ID:
3967473
Name [?]:
trimethyl-[(5-methyl-2-furyl)methyl]ammonium
SMILES [?]:
Cc1ccc(o1)C[N+](C)(C)C
InChi [?]:
InChI=1/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,9,10,11,3,4,7,2,5,8,6/E:(2,3,4)/CRV:10+1/rA:11nCCCCCOCN+CCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s8;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16NO+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-20.8906
Area:321.367
Solvation:-28.9248
Coulombic:17.7286
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:154.229
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.57
LogP (Chemaxon):-3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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