[(2S)-butan-2-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(2S)-butan-2-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-methylpropyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(2S)-butan-2-yl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-methylpropyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C12H28N2+2 MolecularWeight: 200.36412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCC[NH+]1CCCCC1

Isomeric SMILES

CC[C@H](C)[NH2+]CCC[NH+]1CCCCC1

InChI

InChI=1S/C12H26N2/c1-3-12(2)13-8-7-11-14-9-5-4-6-10-14/h12-13H,3-11H2,1-2H3/p+2/t12-/m0/s1