(2,4-dimethylphenyl)-[1-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (2,4-dimethylphenyl)-[1-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone Openeye Name: (2,4-dimethylphenyl)-[1-[(2R)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone CAS Name: (2,4-dimethylphenyl)-[1-[(2R)-2-hydroxy-2-phenylethyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-yl]methanone Traditional Name: (2,4-dimethylphenyl)-[1-[(2R)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC(C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)C[C@@H](C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H27NO2/c1-16-8-9-20(17(2)14-16)22(25)19-10-12-23(13-11-19)15-21(24)18-6-4-3-5-7-18/h3-9,14,19,21,24H,10-13,15H2,1-2H3/p+1/t21-/m0/s1