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

Systemtic Name: (3-chlorophenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C16H18ClN2O2+ MolecularWeight: 305.77932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O2/c17-14-5-1-3-12(9-14)16(20)13-4-2-7-19(10-13)11-15-6-8-21-18-15/h1,3,5-6,8-9,13H,2,4,7,10-11H2/p+1/t13-/m0/s1