(5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C17H20ClN2O3+ MolecularWeight: 335.8053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=NOC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=NOC=C3

InChI

InChI=1S/C17H19ClN2O3/c1-22-16-5-4-13(18)9-15(16)17(21)12-3-2-7-20(10-12)11-14-6-8-23-19-14/h4-6,8-9,12H,2-3,7,10-11H2,1H3/p+1/t12-/m0/s1