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

Systemtic Name: butan-2-yl-(3-piperidin-1-ium-1-ylpropanoylamino)azanium Openeye Name: (3-piperidin-1-ium-1-ylpropanoylamino)-sec-butyl-ammonium CAS Name: butan-2-yl-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]ammonium IUPAC Name: butan-2-yl-(3-piperidin-1-ium-1-ylpropanoylamino)azanium Traditional Name: (3-piperidin-1-ium-1-ylpropanoylamino)-sec-butyl-ammonium Formula: C12H27N3O+2 MolecularWeight: 229.36228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O/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)/p+2