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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H22ClN3O2/c1-12-8-15(21-20-12)11-22-7-3-4-13(10-22)18(23)16-9-14(19)5-6-17(16)24-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,20,21)/p+1/t13-/m0/s1