[(4S)-4-azaniumyl-5-ethoxy-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium dichloride

Systemtic Name: [(4S)-4-azaniumyl-5-ethoxy-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium dichloride Openeye Name: [(4S)-4-azaniumyl-5-ethoxy-5-oxo-pentyl]-(diaminomethylene)ammonium dichloride CAS Name: [(4S)-4-ammonio-5-ethoxy-5-oxopentyl]-(diaminomethylidene)ammonium dichloride IUPAC Name: [(4S)-4-azaniumyl-5-ethoxy-5-oxopentyl]-(diaminomethylidene)azanium dichloride Traditional Name: [(4S)-4-ammonio-5-ethoxy-5-keto-pentyl]-(diaminomethylene)ammonium dichloride Formula: C8H20Cl2N4O2 MolecularWeight: 275.176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC[NH+]=C(N)N)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C8H18N4O2.2ClH/c1-2-14-7(13)6(9)4-3-5-12-8(10)11;;/h6H,2-5,9H2,1H3,(H4,10,11,12);2*1H/t6-;;/m0../s1