Chemical ID: 5233884

CC[N+](C)(CC)CCC(=O)C=Cc1ccccc1
Chemical ID:
5233884
Name [?]:
diethyl-methyl-(3-oxo-5-phenyl-pent-4-enyl)-ammonium
SMILES [?]:
CC[N+](C)(CC)CCC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C16H24NO/c1-4-17(3,5-2)14-13-16(18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,6,4,2,5,16,15,17,14,18,12,11,8,7,13,9,3,10/E:(1,2)(4,5)(7,8)(9,10)/CRV:17+1/rA:18nCCN+CCCCCCOCCCCCCCC/rB:s1;s2;s3;s3;s5;s3;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24NO+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-18.2662
Area:453.256
Solvation:-29.5976
Coulombic:16.5892
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:246.368
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.39
LogP (Chemaxon):-1.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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