2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]ethyl-diethyl-ammonium Formula: C12H29N3O+2 MolecularWeight: 231.37816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N3O/c1-5-10(4)11(13)12(16)14-8-9-15(6-2)7-3/h10-11H,5-9,13H2,1-4H3,(H,14,16)/p+2/t10-,11-/m0/s1