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

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=NOC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=NOC=C3

InChI

InChI=1S/C17H19ClN2O2/c1-12-9-14(18)4-5-16(12)17(21)13-3-2-7-20(10-13)11-15-6-8-22-19-15/h4-6,8-9,13H,2-3,7,10-11H2,1H3/p+1/t13-/m0/s1