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

Systemtic Name: 3-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]propyl-diethyl-ammonium Formula: C13H31N3O+2 MolecularWeight: 245.40474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N3O/c1-5-11(4)12(14)13(17)15-9-8-10-16(6-2)7-3/h11-12H,5-10,14H2,1-4H3,(H,15,17)/p+2/t11-,12-/m0/s1