Chemical ID: 5110573

Cc1ccc(cn1)CCn2c3ccccc3c4c2CC[N+](C4)(C)C
Chemical ID:
5110573
Name [?]:
None
SMILES [?]:
Cc1ccc(cn1)CCn2c3ccccc3c4c2CC[N+](C4)(C)C
InChi [?]:
InChI=1/C21H26N3/c1-16-8-9-17(14-22-16)10-12-23-20-7-5-4-6-18(20)19-15-24(2,3)13-11-21(19)23/h4-9,14H,10-13,15H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,23,24,14,13,15,12,3,4,8,19,9,20,6,22,2,5,16,17,11,18,7,10,21/E:(2,3)/CRV:24+1/rA:24nCCCCCCNCCNCCCCCCCCCCN+CCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s10d17;s18;s19;s20;s17s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N3+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-16.7405
Area:530.916
Solvation:-30.0134
Coulombic:14.1631
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.451
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.66
LogP (Chemaxon):-1.56

Name Annotations

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Descriptor Annotations

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