Chemical ID: 4659056

C[N+](C)(CC=C)CC(=O)OCc1ccccc1
Chemical ID:
4659056
Name [?]:
allyl-(benzyloxycarbonylmethyl)-dimethyl-ammonium
SMILES [?]:
C[N+](C)(CC=C)CC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C14H20NO2/c1-4-10-15(2,3)11-14(16)17-12-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3/q+1
InChi Info:
AuxInfo=1/0/N:6,1,3,5,15,14,16,13,17,4,7,11,12,8,2,9,10/E:(2,3)(6,7)(8,9)/CRV:15+1/rA:17nCN+CCCCCCOOCCCCCCC/rB:s1;s2;s2;s4;d5;s2;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20NO2+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-18.4311
Area:442.454
Solvation:-29.4925
Coulombic:4.10607
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.314
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.82
LogP (Chemaxon):-2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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