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

Systemtic Name: 4-[(2R)-2-oxidanyl-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzonitrile CAS Name: 4-[(2R)-2-hydroxy-3-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]propoxy]benzonitrile IUPAC Name: 4-[(2R)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2R)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]benzonitrile Formula: C22H29N3O3+2 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)C[C@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H27N3O3/c23-16-19-6-8-22(9-7-19)28-18-20(26)17-25-12-10-24(11-13-25)14-15-27-21-4-2-1-3-5-21/h1-9,20,26H,10-15,17-18H2/p+2/t20-/m1/s1