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

Systemtic Name: [(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c25-22(18-5-4-13-24(15-18)16-19-12-14-26-23-19)17-8-10-21(11-9-17)27-20-6-2-1-3-7-20/h1-3,6-12,14,18H,4-5,13,15-16H2/p+1/t18-/m0/s1