(3-chlorophenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Formula: C18H23ClN3O+ MolecularWeight: 332.84772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3O/c19-17-7-1-5-15(13-17)18(23)16-6-2-9-21(14-16)10-4-12-22-11-3-8-20-22/h1,3,5,7-8,11,13,16H,2,4,6,9-10,12,14H2/p+1/t16-/m0/s1