[3-(1H-imidazol-3-ium-5-yl)-1-(octylamino)-1-oxidanylidene-propan-2-yl]azanium dichloride

Systemtic Name: [3-(1H-imidazol-3-ium-5-yl)-1-(octylamino)-1-oxidanylidene-propan-2-yl]azanium dichloride Openeye Name: [1-(1H-imidazol-3-ium-5-ylmethyl)-2-(octylamino)-2-oxo-ethyl]ammonium dichloride CAS Name: [3-(1H-imidazol-3-ium-5-yl)-1-(octylamino)-1-oxopropan-2-yl]ammonium dichloride IUPAC Name: [3-(1H-imidazol-3-ium-5-yl)-1-(octylamino)-1-oxopropan-2-yl]azanium dichloride Traditional Name: [1-(1H-imidazol-3-ium-5-ylmethyl)-2-keto-2-(octylamino)ethyl]ammonium dichloride Formula: C14H28Cl2N4O MolecularWeight: 339.30432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(CC1=C[NH+]=CN1)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCNC(=O)C(CC1=C[NH+]=CN1)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C14H26N4O.2ClH/c1-2-3-4-5-6-7-8-17-14(19)13(15)9-12-10-16-11-18-12;;/h10-11,13H,2-9,15H2,1H3,(H,16,18)(H,17,19);2*1H