(2R,3R)-3-oxidanyl-3-(4-phenylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]propanenitrile

Systemtic Name: (2R,3R)-3-oxidanyl-3-(4-phenylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]propanenitrile Openeye Name: (2R,3R)-3-hydroxy-3-(4-phenylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]propanenitrile CAS Name: (2R,3R)-3-hydroxy-3-(4-phenylphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]propanenitrile IUPAC Name: (2R,3R)-3-hydroxy-3-(4-phenylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]propanenitrile Traditional Name: (2R,3R)-3-hydroxy-3-(4-phenylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]propionitrile Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C#N)C(C2=CC=C(C=C2)C3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C#N)[C@H](C2=CC=C(C=C2)C3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c27-19-24(20-28-15-17-29(18-16-28)25-9-5-2-6-10-25)26(30)23-13-11-22(12-14-23)21-7-3-1-4-8-21/h1-14,24,26,30H,15-18,20H2/p+1/t24-,26-/m0/s1