Chemical ID: 7120366

CC(COC)[NH2+]Cc1cc(c(c(c1)OC)OC)OC
Chemical ID:
7120366
Name [?]:
(2-methoxy-1-methyl-ethyl)-[(3,4,5-trimethoxyphenyl)methyl]ammonium
SMILES [?]:
CC(COC)[NH2+]Cc1cc(c(c(c1)OC)OC)OC
InChi [?]:
InChI=1/C14H23NO4/c1-10(9-16-2)15-8-11-6-12(17-3)14(19-5)13(7-11)18-4/h6-7,10,15H,8-9H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,15,19,17,13,9,7,3,2,8,12,10,11,6,4,14,18,16/E:(3,4)(6,7)(12,13)(17,18)/rA:19cCCCOCN+CCCCCCCOCOCOC/rB:s1;s2;s3;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s10;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H24NO4+
All Atoms:43
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-28.9761
Area:486.347
Solvation:-41.1348
Coulombic:8.98764
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:270.345
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.15
LogP (Chemaxon):1.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue