Chemical ID: 7462353

C[NH+]1C2CCC1CC(C2)OC(=O)C(c3ccccc3)O
Chemical ID:
7462353
Name [?]:
(8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl) 2-hydroxy-2-phenyl-acetate
SMILES [?]:
C[NH+]1C2CCC1CC(C2)OC(=O)C(c3ccccc3)O
InChi [?]:
InChI=1/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,4,5,9,7,14,3,6,8,13,11,2,20,12,10/E:(3,4)(5,6)(7,8)(9,10)(12,13)/rA:20cCN+CCCCCCCOCOCCCCCCCO/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22NO3+
All Atoms:42
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:-20.0948
Area:466.18
Solvation:-31.7493
Coulombic:-7.89791
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.351
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.76
LogP (Chemaxon):1.72

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