[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C12H27N3O+2 MolecularWeight: 229.36228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]C(C)C(=O)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H](C)C(=O)N

InChI

InChI=1S/C12H25N3O/c1-10-6-3-4-8-15(10)9-5-7-14-11(2)12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16)/p+2/t10-,11-/m0/s1