(3-chlorophenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H25ClN3O+ MolecularWeight: 394.9171

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCCC(C3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H24ClN3O/c1-26-14-20(22(25-26)17-7-3-2-4-8-17)16-27-12-6-10-19(15-27)23(28)18-9-5-11-21(24)13-18/h2-5,7-9,11,13-14,19H,6,10,12,15-16H2,1H3/p+1/t19-/m0/s1