[(3S,4R)-4-oxidanyl-4-phenyl-1-(phenylmethyl)piperidin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [(3S,4R)-4-oxidanyl-4-phenyl-1-(phenylmethyl)piperidin-1-ium-3-yl]-phenyl-methanone Openeye Name: [(3S,4R)-1-benzyl-4-hydroxy-4-phenyl-piperidin-1-ium-3-yl]-phenyl-methanone CAS Name: [(3S,4R)-4-hydroxy-4-phenyl-1-(phenylmethyl)-3-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [(3S,4R)-1-benzyl-4-hydroxy-4-phenylpiperidin-1-ium-3-yl]-phenylmethanone Traditional Name: [(3S,4R)-1-benzyl-4-hydroxy-4-phenyl-piperidin-1-ium-3-yl]-phenyl-methanone Formula: C25H26NO2+ MolecularWeight: 372.47944

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]([C@]1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25NO2/c27-24(21-12-6-2-7-13-21)23-19-26(18-20-10-4-1-5-11-20)17-16-25(23,28)22-14-8-3-9-15-22/h1-15,23,28H,16-19H2/p+1/t23-,25+/m1/s1