4-[(2R)-2-oxidanyl-3-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-2-oxidanyl-3-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-2-hydroxy-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]propoxy]benzonitrile CAS Name: 4-[(2R)-2-hydroxy-3-[4-[hydroxy(diphenyl)methyl]-1-piperidin-1-iumyl]propoxy]benzonitrile IUPAC Name: 4-[(2R)-2-hydroxy-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2R)-2-hydroxy-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]propoxy]benzonitrile Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C[C@H](COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C28H30N2O3/c29-19-22-11-13-27(14-12-22)33-21-26(31)20-30-17-15-25(16-18-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25-26,31-32H,15-18,20-21H2/p+1/t26-/m1/s1