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Chemical ID: 5107370
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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