(5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H22ClN3O2/c1-21-10-13(9-20-21)11-22-7-3-4-14(12-22)18(23)16-8-15(19)5-6-17(16)24-2/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3/p+1/t14-/m0/s1