Chemical ID: 4559321

CCCC[N+]12CCC34C1CC(C(=CC)C2)C(=C3Nc5c4cccc5)C=O
Chemical ID:
4559321
Name [?]:
None
SMILES [?]:
CCCC[N+]12CCC34C1CC(C(=CC)C2)C(=C3Nc5c4cccc5)C=O
InChi [?]:
InChI=1/C23H28N2O/c1-3-5-11-25-12-10-23-19-8-6-7-9-20(19)24-22(23)18(15-26)17(13-21(23)25)16(4-2)14-25/h4,6-9,15,17,21H,3,5,10-14H2,1-2H3/p+1
InChi Info:
AuxInfo=1/5/N:1,14,2,13,3,22,23,21,24,7,4,6,10,15,25,12,11,16,20,19,9,17,8,18,5,26/CRV:25+1,26-1/rA:26cCCCCN+CCCCCCCCCCCCNCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;s11;w12;s13;s5s12;s11;s8d16;s17;s18;s8s19;d20;s21;d22;d19s23;s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29N2O+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:4
ZAP Information [?]
Total:-14.7005
Area:519.517
Solvation:-27.6884
Coulombic:4.56749
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:349.489
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.24
LogP (Chemaxon):-2.53

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Descriptor Annotations

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