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

Systemtic Name: (4-chlorophenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(3-pyrazol-1-ylbenzyl)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=CC(=CC=C2)N3C=CC=N3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)N3C=CC=N3)C(=O)C4=CC=C(C=C4)Cl

InChI

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