Chemical Components in the PDB

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NET : Summary

Code

NET

One-letter code

X

Molecule name

TETRAETHYLAMMONIUM ION

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N,N-triethylethanaminium
OpenEye OEToolkits 1.5.0 tetraethylazanium

Formula

C8 H20 N

Formal charge

1

Molecular weight

130.251 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 CC[N+](CC)(CC)CC
SMILES CACTVS 3.341 CC[N+](CC)(CC)CC
SMILES OpenEye OEToolkits 1.5.0 CC[N+](CC)(CC)CC
Canonical SMILES CACTVS 3.341 CC[N+](CC)(CC)CC
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[N+](CC)(CC)CC

IUPAC InChI

InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1

IUPAC InChI key

CBXCPBUEXACCNR-UHFFFAOYSA-N
NET

wwPDB Information

Atom count

29 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned