Chemical ID: 6659908

CCC(C)C(c1ccccc1)C(=O)OC2CC[N+](CC2)(C)C
Chemical ID:
6659908
Name [?]:
(1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl) 3-methyl-2-phenyl-pentanoate
SMILES [?]:
CCC(C)C(c1ccccc1)C(=O)OC2CC[N+](CC2)(C)C
InChi [?]:
InChI=1/C19H30NO2/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17/h6-10,15,17-18H,5,11-14H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,4,21,22,2,9,8,10,7,11,16,20,17,19,3,6,15,5,12,18,13,14/E:(3,4)(7,8)(9,10)(11,12)(13,14)/CRV:20+1/rA:22cCCCCCCCCCCCCOOCCCN+CCCC/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;d6s10;s5;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30NO2+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:-17.0116
Area:515.499
Solvation:-29.899
Coulombic:4.00125
Bond Count [?]
All:23
Single:19
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.447
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.75
LogP (Chemaxon):-1.2

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Descriptor Annotations

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