9T8
Summary
Name: | 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium |
Formula: | C8 H21 N3 O |
Formal charge: | 2 |
Formula weight: | 175.272 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2 |
InChIKey | InChI | 1.03 | CKBSAZMXMFCAGN-UHFFFAOYSA-P |
SMILES_CANONICAL | CACTVS | 3.385 | C[NH+](C)CCCNC(=O)CC[NH3+] |
SMILES | CACTVS | 3.385 | C[NH+](C)CCCNC(=O)CC[NH3+] |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH+](C)CCCNC(=O)CC[NH3+] |
SMILES | OpenEye OEToolkits | 2.0.6 | C[NH+](C)CCCNC(=O)CC[NH3+] |