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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-piperidin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-piperidin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-(4-piperidin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-piperidin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[(1S)-1-methylpropyl]-4-piperidin-1-ium-4-yl-piperazin-1-ium Formula: C13H29N3+2 MolecularWeight: 227.38946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C2CC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C2CC[NH2+]CC2

InChI

InChI=1S/C13H27N3/c1-3-12(2)15-8-10-16(11-9-15)13-4-6-14-7-5-13/h12-14H,3-11H2,1-2H3/p+2/t12-/m0/s1