Chemical ID: 6840718

CC[NH+]1CCN(CC1)c2c3ccc4ccccc4c3ncc2C(=O)OCC
Chemical ID:
6840718
Name [?]:
None
SMILES [?]:
CC[NH+]1CCN(CC1)c2c3ccc4ccccc4c3ncc2C(=O)OCC
InChi [?]:
InChI=1/C22H25N3O2/c1-3-24-11-13-25(14-12-24)21-18-10-9-16-7-5-6-8-17(16)20(18)23-15-19(21)22(26)27-4-2/h5-10,15H,3-4,11-14H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,27,2,26,15,16,14,17,12,11,4,8,5,7,21,13,18,10,22,19,9,23,20,3,6,24,25/E:(11,12)(13,14)/rA:27nCCN+CCNCCCCCCCCCCCCCNCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s19;d20;d9s21;s22;d23;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N3O2+
All Atoms:53
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-17.993
Area:563.999
Solvation:-32.093
Coulombic:-2.84943
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.461
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.02
LogP (Chemaxon):3.44

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