Chemical ID: 6607045

Cc1ccc(c(c1)NC(=O)C[N+]23CCN(CC2)CC3)C
Chemical ID:
6607045
Name [?]:
2-(4-aza-1-azoniabicyclo[2.2.2]oct-1-yl)-N-(2,5-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)C[N+]23CCN(CC2)CC3)C
InChi [?]:
InChI=1/C16H23N3O/c1-13-3-4-14(2)15(11-13)17-16(20)12-19-8-5-18(6-9-19)7-10-19/h3-4,11H,5-10,12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/5/N:1,20,3,4,14,16,18,13,17,19,7,11,2,5,6,9,8,15,12,10/E:(5,6,7)(8,9,10)/CRV:19+1,20-1/rA:20nCCCCCCCNCOCN+CCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;s12s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N3O+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-17.6882
Area:452.738
Solvation:-29.0066
Coulombic:0.021268
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:274.381
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.38
LogP (Chemaxon):-3.43

Name Annotations

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Descriptor Annotations

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