Chemical ID: 7205705

c1ccc(cc1)C[NH+](CCC(=O)Nc2cccc(c2)Cl)CCO
Chemical ID:
7205705
Name [?]:
benzyl-[2-[(3-chlorophenyl)carbamoyl]ethyl]-(2-hydroxyethyl)ammonium
SMILES [?]:
c1ccc(cc1)C[NH+](CCC(=O)Nc2cccc(c2)Cl)CCO
InChi [?]:
InChI=1/C18H21ClN2O2/c19-16-7-4-8-17(13-16)20-18(23)9-10-21(11-12-22)14-15-5-2-1-3-6-15/h1-8,13,22H,9-12,14H2,(H,20,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,17,15,10,9,21,22,19,7,4,18,14,11,20,13,8,23,12/E:(2,3)(5,6)/rA:23cCCCCCCCN+CCCONCCCCCCClCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s8;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClN2O2+
All Atoms:45
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-18.1731
Area:561.19
Solvation:-32.2029
Coulombic:-7.62867
Bond Count [?]
All:24
Single:17
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.832
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.58
LogP (Chemaxon):3.27

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