Chemical ID: 5571141

CN1CCc2ccccc2C1C[N+](C)(C)C
Chemical ID:
5571141
Name [?]:
trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]ammonium
SMILES [?]:
CN1CCc2ccccc2C1C[N+](C)(C)C
InChi [?]:
InChI=1/C14H23N2/c1-15-10-9-12-7-5-6-8-13(12)14(15)11-16(2,3)4/h5-8,14H,9-11H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,14,15,16,7,8,6,9,4,3,12,5,10,11,2,13/E:(2,3,4)/CRV:16+1/rA:16cCNCCCCCCCCCCN+CCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N2+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:-18.1001
Area:381.846
Solvation:-27.6462
Coulombic:15.7938
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.346
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.3
LogP (Chemaxon):-2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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