(2S,3S)-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (2S,3S)-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (2S,3S)-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]piperidin-1-ium-3-ol CAS Name: (2S,3S)-2-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-3-piperidin-1-iumol IUPAC Name: (2S,3S)-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (2S,3S)-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]piperidin-1-ium-3-ol Formula: C12H28N3O2+3 MolecularWeight: 246.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C([NH2+]C1)C[NH+]2CC[NH+](CC2)CCO)O

Isomeric SMILES

C1C[C@@H]([C@@H]([NH2+]C1)C[NH+]2CC[NH+](CC2)CCO)O

InChI

InChI=1S/C12H25N3O2/c16-9-8-14-4-6-15(7-5-14)10-11-12(17)2-1-3-13-11/h11-13,16-17H,1-10H2/p+3/t11-,12-/m0/s1