Chemical ID: 6800218

CCOCCC[NH2+]C1CCN(CC1)C(=O)C
Chemical ID:
6800218
Name [?]:
(1-acetyl-4-piperidyl)-(3-ethoxypropyl)ammonium
SMILES [?]:
CCOCCC[NH2+]C1CCN(CC1)C(=O)C
InChi [?]:
InChI=1/C12H24N2O2/c1-3-16-10-4-7-13-12-5-8-14(9-6-12)11(2)15/h12-13H,3-10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,16,2,5,9,13,6,10,12,4,14,8,7,11,15,3/E:(5,6)(8,9)/rA:16nCCOCCCN+CCCNCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H25N2O2+
All Atoms:41
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-26.046
Area:452.922
Solvation:-37.369
Coulombic:14.6925
Bond Count [?]
All:16
Single:15
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:229.339
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.6
LogP (Chemaxon):-0.7

Name Annotations

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Descriptor Annotations

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