Chemical ID: 4259103

CC[NH+](CC)CCCC(C)[NH2+]c1ccnc2c1ccc(c2)Cl
Chemical ID:
4259103
Name [?]:
4-[(7-chloro-4-quinolyl)ammonio]pentyl-diethyl-ammonium
SMILES [?]:
CC[NH+](CC)CCCC(C)[NH2+]c1ccnc2c1ccc(c2)Cl
InChi [?]:
InChI=1/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+2
InChi Info:
AuxInfo=1/1/N:1,5,10,2,4,7,8,19,18,13,14,6,21,9,20,17,12,16,22,15,11,3/E:(1,2)(4,5)/rA:22cCCN+CCCCCCCN+CCCNCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28ClN3+2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-80.0869
Area:550.794
Solvation:-93.8567
Coulombic:92.9602
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.888
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:4.27
LogP (Chemaxon):3.81

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