[(2S)-3-methyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carbonyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-oxo-1-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-oxo-1-[4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-1-[4-[2-keto-2-(propylamino)ethyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]ammonium Formula: C14H30N4O2+2 MolecularWeight: 286.4136

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C14H28N4O2/c1-4-5-16-12(19)10-17-6-8-18(9-7-17)14(20)13(15)11(2)3/h11,13H,4-10,15H2,1-3H3,(H,16,19)/p+2/t13-/m0/s1