4-[(2S)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzonitrile Formula: C16H25N3O3+2 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H23N3O3/c17-11-14-1-3-16(4-2-14)22-13-15(21)12-19-7-5-18(6-8-19)9-10-20/h1-4,15,20-21H,5-10,12-13H2/p+2/t15-/m0/s1