Chemical ID: 6725949

CC[NH+](CC)CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
Chemical ID:
6725949
Name [?]:
(2-benzoyl-4-chloro-phenyl)carbamoylmethyl-diethyl-ammonium
SMILES [?]:
CC[NH+](CC)CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C19H21ClN2O2/c1-3-22(4-2)13-18(23)21-17-11-10-15(20)12-16(17)19(24)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,21,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,20,22,19,23,12,11,14,6,18,13,15,10,7,16,24,9,3,8,17/E:(1,2)(3,4)(6,7)(8,9)/rA:24nCCN+CCCCONCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN2O2+
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-18.6784
Area:566.187
Solvation:-32.8331
Coulombic:0.387642
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:345.843
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.31

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