Chemical ID: 5178283

C[N+](C)(CCCCCC[N+](C)(C)Cc1ccccc1)Cc2ccccc2
Chemical ID:
5178283
Name [?]:
benzyl-[6-(benzyl-dimethyl-ammonio)hexyl]-dimethyl-ammonium
SMILES [?]:
C[N+](C)(CCCCCC[N+](C)(C)Cc1ccccc1)Cc2ccccc2
InChi [?]:
InChI=1/C24H38N2/c1-25(2,21-23-15-9-7-10-16-23)19-13-5-6-14-20-26(3,4)22-24-17-11-8-12-18-24/h7-12,15-18H,5-6,13-14,19-22H2,1-4H3/q+2
InChi Info:
AuxInfo=1/0/N:1,3,11,12,6,7,24,17,23,25,16,18,5,8,22,26,15,19,4,9,20,13,21,14,2,10/E:(1,2,3,4)(5,6)(7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)/CRV:25+1,26+1/rA:26nCN+CCCCCCCN+CCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s10;s10;s13;s14;d15;s16;d17;d14s18;s2;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H38N2+2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-58.4981
Area:619.367
Solvation:-73.9822
Coulombic:62.5522
Bond Count [?]
All:27
Single:21
Double:6
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:354.572
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.22
LogP (Chemaxon):-4.17

Name Annotations

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Descriptor Annotations

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