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

Systemtic Name: (4-chlorophenyl)-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C22H23ClN3O+ MolecularWeight: 380.89052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O/c23-20-10-8-18(9-11-20)22(27)19-5-4-12-25(16-19)14-17-13-24-26(15-17)21-6-2-1-3-7-21/h1-3,6-11,13,15,19H,4-5,12,14,16H2/p+1/t19-/m0/s1