Chemical ID: 7121611

C[NH+](CC(COCc1ccccc1)O)C2CCCCC2
Chemical ID:
7121611
Name [?]:
(3-benzyloxy-2-hydroxy-propyl)-cyclohexyl-methyl-ammonium
SMILES [?]:
C[NH+](CC(COCc1ccccc1)O)C2CCCCC2
InChi [?]:
InChI=1/C17H27NO2/c1-18(16-10-6-3-7-11-16)12-17(19)14-20-13-15-8-4-2-5-9-15/h2,4-5,8-9,16-17,19H,3,6-7,10-14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,11,18,10,12,17,19,9,13,16,20,3,7,5,8,15,4,2,14,6/E:(4,5)(6,7)(8,9)(10,11)/rA:20cCN+CCCOCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4;s2;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28NO2+
All Atoms:48
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:-20.2873
Area:509.063
Solvation:-33.0138
Coulombic:3.28726
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.41
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.74
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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