[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C9H21N3O+2 MolecularWeight: 187.28254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH+](CC1)C)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CCC[NH+](CC1)C)[NH3+]

InChI

InChI=1S/C9H19N3O/c1-8(10)9(13)12-5-3-4-11(2)6-7-12/h8H,3-7,10H2,1-2H3/p+2/t8-/m0/s1