butan-2-yl-(3-piperidin-1-ium-1-ylpropanoylamino)azanium dichloride

Systemtic Name: butan-2-yl-(3-piperidin-1-ium-1-ylpropanoylamino)azanium dichloride Openeye Name: (3-piperidin-1-ium-1-ylpropanoylamino)-sec-butyl-ammonium dichloride CAS Name: butan-2-yl-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]ammonium dichloride IUPAC Name: butan-2-yl-(3-piperidin-1-ium-1-ylpropanoylamino)azanium dichloride Traditional Name: (3-piperidin-1-ium-1-ylpropanoylamino)-sec-butyl-ammonium dichloride Formula: C12H27Cl2N3O MolecularWeight: 300.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]NC(=O)CC[NH+]1CCCCC1.[Cl-].[Cl-]

Isomeric SMILES

CCC(C)[NH2+]NC(=O)CC[NH+]1CCCCC1.[Cl-].[Cl-]

InChI

InChI=1S/C12H25N3O.2ClH/c1-3-11(2)13-14-12(16)7-10-15-8-5-4-6-9-15;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H