Chemical ID: 6147346

CN(C)CCC[NH+]=c1cc(oc2c1cc(cc2)Cl)c3ccccc3
Chemical ID:
6147346
Name [?]:
(6-chloro-2-phenyl-chromen-4-ylidene)-(3-dimethylaminopropyl)ammonium
SMILES [?]:
CN(C)CCC[NH+]=c1cc(oc2c1cc(cc2)Cl)c3ccccc3
InChi [?]:
InChI=1/C20H21ClN2O/c1-23(2)12-6-11-22-18-14-20(15-7-4-3-5-8-15)24-19-10-9-16(21)13-17(18)19/h3-5,7-10,13-14H,6,11-12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,22,21,23,5,20,24,16,17,6,4,14,9,19,15,13,8,12,10,18,7,2,11/E:(1,2)(4,5)(7,8)/rA:24nCNCCCCN+CCCOCCCCCCClCCCCCC/rB:s1;s2;s2;s4;s5;s6;w7;s8;d9;s10;s11;s8s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22ClN2O+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-19.476
Area:582.048
Solvation:-34.0272
Coulombic:-2.9593
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:341.854
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.72
LogP (Chemaxon):4.59

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