Chemical ID: 7020474

CC[N+](CC)(CC)Cc1cccc(c1)C[N+](CC)(CC)CC
Chemical ID:
7020474
Name [?]:
triethyl-[[3-(triethylammoniomethyl)phenyl]methyl]ammonium
SMILES [?]:
CC[N+](CC)(CC)Cc1cccc(c1)C[N+](CC)(CC)CC
InChi [?]:
InChI=1/C20H38N2/c1-7-21(8-2,9-3)17-19-14-13-15-20(16-19)18-22(10-4,11-5)12-6/h13-16H,7-12,17-18H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,5,7,18,20,22,2,4,6,17,19,21,11,10,12,14,8,15,9,13,3,16/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(14,15)(17,18)(19,20)(21,22)/CRV:21+1,22+1/rA:22nCCN+CCCCCCCCCCCCN+CCCCCC/rB:s1;s2;s3;s4;s3;s6;s3;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;s16;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H38N2+2
All Atoms:60
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-65.2113
Area:486.095
Solvation:-77.3637
Coulombic:71.9734
Bond Count [?]
All:22
Single:19
Double:3
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:306.529
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.52
LogP (Chemaxon):-5.28

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Descriptor Annotations

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