Chemical ID: 4907572

C[N+](C)(CCOc1ccccc1)Cc2cccs2
Chemical ID:
4907572
Name [?]:
dimethyl-(2-phenoxyethyl)-(2-thienylmethyl)ammonium
SMILES [?]:
C[N+](C)(CCOc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C15H20NOS/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,16,8,12,15,4,5,17,13,7,14,2,6,18/E:(1,2)(4,5)(7,8)/CRV:16+1/rA:18nCN+CCCOCCCCCCCCCCCS/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s2;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20NOS+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-16.6712
Area:449.386
Solvation:-27.9058
Coulombic:13.2361
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.391
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.29
LogP (Chemaxon):-1.61

Name Annotations

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Descriptor Annotations

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