3-azaniumylpropyl-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 3-azaniumylpropyl-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-(3-azaniumylpropyl)-methyl-ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-(3-ammoniopropyl)-methylammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-(3-azaniumylpropyl)-methylazanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-(3-ammoniopropyl)-methyl-ammonium Formula: C7H19N3O+2 MolecularWeight: 161.24526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+](C)CCC[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N)[NH+](C)CCC[NH3+]

InChI

InChI=1S/C7H17N3O/c1-6(7(9)11)10(2)5-3-4-8/h6H,3-5,8H2,1-2H3,(H2,9,11)/p+2/t6-/m0/s1