Chemical ID: 4561790

CC[N+]12CCCC3C1C(CCC2)C4CCCC(=O)N4C3
Chemical ID:
4561790
Name [?]:
None
SMILES [?]:
CC[N+]12CCCC3C1C(CCC2)C4CCCC(=O)N4C3
InChi [?]:
InChI=1/C17H29N2O/c1-2-19-10-4-6-13-12-18-15(8-3-9-16(18)20)14(17(13)19)7-5-11-19/h13-15,17H,2-12H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,15,5,11,6,10,14,16,4,12,20,7,9,13,17,8,19,3,18/CRV:19+1/rA:20cCCN+CCCCCCCCCCCCCCONC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s10;s3s11;s9;s13;s14;s15;s16;d17;s13s17;s7s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29N2O+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:5
ZAP Information [?]
Total:-16.7778
Area:416.77
Solvation:-27.1971
Coulombic:7.60595
Bond Count [?]
All:23
Single:22
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:277.425
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.53
LogP (Chemaxon):-3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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