種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+] |
InChI | InChI | 1.03 | InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4 |
InChIKey | InChI | 1.03 | FMTAVYOBEGHWPT-UHFFFAOYSA-R |
SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+] |
SMILES | CACTVS | 3.385 | [NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+] |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+] |
SMILES | OpenEye OEToolkits | 2.0.6 | C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+] |