Chemical ID: 5107370

CC(C)C1CCC2(CC1)CC(=O)N(C(=O)C2)CCC[N+](C)(C)C
Chemical ID:
5107370
Name [?]:
3-(3-isopropyl-8,10-dioxo-9-azaspiro[5.5]undec-9-yl)propyl-trimethyl-ammonium
SMILES [?]:
CC(C)C1CCC2(CC1)CC(=O)N(C(=O)C2)CCC[N+](C)(C)C
InChi [?]:
InChI=1/C19H35N2O2/c1-15(2)16-7-9-19(10-8-16)13-17(22)20(18(23)14-19)11-6-12-21(3,4)5/h15-16H,6-14H2,1-5H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,21,22,23,18,5,9,6,8,17,19,10,16,2,4,11,14,7,13,20,12,15/E:(1,2)(3,4,5)(7,8)(9,10)(13,14)(17,18)(22,23)/CRV:21+1/rA:23nCCCCCCCCCCCONCOCCCCN+CCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s11;s13;d14;s7s14;s13;s17;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H35N2O2+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-16.2962
Area:534.835
Solvation:-29.667
Coulombic:-1.38704
Bond Count [?]
All:24
Single:22
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.493
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.53
LogP (Chemaxon):-2.47

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