Chemical ID: 6848924

CCOC(=O)c1c[nH+]c2c3ccccc3ccc2c1NC4CCCCC4
Chemical ID:
6848924
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c[nH+]c2c3ccccc3ccc2c1NC4CCCCC4
InChi [?]:
InChI=1/C22H24N2O2/c1-2-26-22(25)19-14-23-20-17-11-7-6-8-15(17)12-13-18(20)21(19)24-16-9-4-3-5-10-16/h6-8,11-14,16H,2-5,9-10H2,1H3,(H,23,24)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,13,12,14,22,26,11,16,17,7,15,21,10,18,6,9,19,4,8,20,5,3/E:(4,5)(9,10)/rA:26nCCOCOCCN+CCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;d6s18;s19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N2O2+
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-19.4028
Area:543.943
Solvation:-33.0013
Coulombic:-23.4738
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.446
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.65
LogP (Chemaxon):4.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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