Chemical ID: 5121051

C[N+](C)(CCNCc1ccccc1)Cc2ccccc2
Chemical ID:
5121051
Name [?]:
benzyl-(2-benzylaminoethyl)-dimethyl-ammonium
SMILES [?]:
C[N+](C)(CCNCc1ccccc1)Cc2ccccc2
InChi [?]:
InChI=1/C18H25N2/c1-20(2,16-18-11-7-4-8-12-18)14-13-19-15-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,11,18,10,12,17,19,9,13,16,20,5,4,7,14,8,15,6,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/CRV:20+1/rA:20nCN+CCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s2;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-16.5084
Area:494.541
Solvation:-28.8719
Coulombic:12.4698
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.405
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):-1.25

Name Annotations

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Descriptor Annotations

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