2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]ethyl-diisopropyl-ammonium Formula: C14H33N3O+2 MolecularWeight: 259.43132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H31N3O/c1-7-12(6)13(15)14(18)16-8-9-17(10(2)3)11(4)5/h10-13H,7-9,15H2,1-6H3,(H,16,18)/p+2/t12-,13-/m0/s1