Chemical ID: 6503378

CC(=O)CC(=O)N(CCC[N+](C)(C)C)CCC[N+](C)(C)C
Chemical ID:
6503378
Name [?]:
trimethyl-[3-(3-oxobutanoyl-(3-trimethylammoniopropyl)amino)propyl]ammonium
SMILES [?]:
CC(=O)CC(=O)N(CCC[N+](C)(C)C)CCC[N+](C)(C)C
InChi [?]:
InChI=1/C16H35N3O2/c1-15(20)14-16(21)17(10-8-12-18(2,3)4)11-9-13-19(5,6)7/h8-14H2,1-7H3/q+2
InChi Info:
AuxInfo=1/0/N:1,12,13,14,19,20,21,9,16,8,15,10,17,4,2,5,7,11,18,3,6/E:(2,3,4,5,6,7)(8,9)(10,11)(12,13)(18,19)/CRV:18+1,19+1/rA:21nCCOCCONCCCN+CCCCCCN+CCC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s11;s11;s7;s15;s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H35N3O2+2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-67.5542
Area:555.383
Solvation:-81.4387
Coulombic:51.0698
Bond Count [?]
All:20
Single:18
Double:2
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:301.468
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-2.23
LogP (Chemaxon):-9.22

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