Chemical ID: 3964971

C[N+]1(CCC(CC1)OC(=O)C(c2ccccc2)c3ccccc3)C
Chemical ID:
3964971
Name [?]:
(1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl) 2,2-diphenylacetate
SMILES [?]:
C[N+]1(CCC(CC1)OC(=O)C(c2ccccc2)c3ccccc3)C
InChi [?]:
InChI=1/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,24,15,21,14,16,20,22,13,17,19,23,4,6,3,7,12,18,5,11,9,2,10,8/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)/CRV:22+1/rA:24nCN+CCCCCOCOCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s11;s18;d19;s20;d21;d18s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26NO2+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-16.8645
Area:532.022
Solvation:-30.165
Coulombic:3.04738
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.437
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.56
LogP (Chemaxon):-1.11

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Descriptor Annotations

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