[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone

Systemtic Name: [(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Openeye Name: (4-phenylphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Traditional Name: (4-phenylphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C23H28NO2+ MolecularWeight: 350.47392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27NO2/c25-23(20-10-8-19(9-11-20)18-5-2-1-3-6-18)21-7-4-14-24(17-21)22-12-15-26-16-13-22/h1-3,5-6,8-11,21-22H,4,7,12-17H2/p+1/t21-/m0/s1