Chemical ID: 4970453

CC[N+](C)(CC)CC[N+]1(CCCCCC1)C
Chemical ID:
4970453
Name [?]:
diethyl-methyl-[2-(1-methyl-1-azoniacyclohept-1-yl)ethyl]ammonium
SMILES [?]:
CC[N+](C)(CC)CC[N+]1(CCCCCC1)C
InChi [?]:
InChI=1/C14H32N2/c1-5-15(3,6-2)13-14-16(4)11-9-7-8-10-12-16/h5-14H2,1-4H3/q+2
InChi Info:
AuxInfo=1/0/N:1,6,4,16,2,5,12,13,11,14,10,15,7,8,3,9/E:(1,2)(5,6)(7,8)(9,10)(11,12)/CRV:15+1,16+1/rA:16nCCN+CCCCCN+CCCCCCC/rB:s1;s2;s3;s3;s5;s3;s7;s8;s9;s10;s11;s12;s13;s9s14;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H32N2+2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-80.1641
Area:415.819
Solvation:-90.5596
Coulombic:89.4226
Bond Count [?]
All:16
Single:16
Double:0
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:228.417
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.56
LogP (Chemaxon):-7.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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