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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=CC=NN3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NN3

InChI

InChI=1S/C17H20ClN3O2/c1-23-16-5-4-13(18)9-15(16)17(22)12-3-2-8-21(10-12)11-14-6-7-19-20-14/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,19,20)/p+1/t12-/m0/s1