[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone

Systemtic Name: [(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Openeye Name: [(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone CAS Name: [(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Traditional Name: [(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2/c25-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)20-7-4-13-24(15-20)16-21-12-14-26-23-21/h1-3,5-6,8-12,14,20H,4,7,13,15-16H2/p+1/t20-/m0/s1