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

Systemtic Name: 2-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethylammonium Formula: C10H25N3+2 MolecularWeight: 187.3256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H23N3/c1-3-10(2)13-8-6-12(5-4-11)7-9-13/h10H,3-9,11H2,1-2H3/p+2/t10-/m0/s1