3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]propylammonium Formula: C11H27N3+2 MolecularWeight: 201.35218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CCC[NH3+]

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)CCC[NH3+]

InChI

InChI=1S/C11H25N3/c1-3-11(2)14-9-7-13(8-10-14)6-4-5-12/h11H,3-10,12H2,1-2H3/p+2/t11-/m0/s1