Chemical ID: 6760254

CC1(CC(CCO1)C(CC[NH2+]Cc2ccco2)Cc3ccccc3)C
Chemical ID:
6760254
Name [?]:
[3-(2,2-dimethyltetrahydropyran-4-yl)-4-phenyl-butyl]-(2-furylmethyl)ammonium
SMILES [?]:
CC1(CC(CCO1)C(CC[NH2+]Cc2ccco2)Cc3ccccc3)C
InChi [?]:
InChI=1/C22H31NO2/c1-22(2)16-20(11-14-25-22)19(15-18-7-4-3-5-8-18)10-12-23-17-21-9-6-13-24-21/h3-9,13,19-20,23H,10-12,14-17H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,25,22,21,23,15,20,24,14,9,5,10,16,6,18,3,12,19,8,4,13,2,11,17,7/E:(1,2)(4,5)(7,8)/rA:25cCCCCCCOCCCN+CCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;s10;s11;s12;d13;s14;d15;s13s16;s8;s18;s19;d20;s21;d22;d19s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H32NO2+
All Atoms:57
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:-23.5008
Area:568.072
Solvation:-37.7026
Coulombic:20.1228
Bond Count [?]
All:27
Single:22
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:342.495
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.32
LogP (Chemaxon):3.93

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Descriptor Annotations

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