[(2S,3S)-3-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)butyl]ammonium Formula: C12H27N3O+2 MolecularWeight: 229.36228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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