[1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone CAS Name: [1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Formula: C24H27ClN3O2+ MolecularWeight: 424.94308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H26ClN3O2/c1-17-22(24(25)28(26-17)20-6-4-3-5-7-20)16-27-14-12-19(13-15-27)23(29)18-8-10-21(30-2)11-9-18/h3-11,19H,12-16H2,1-2H3/p+1