1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone Formula: C22H23ClNO+ MolecularWeight: 352.87712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClNO/c23-21-13-11-20(12-14-21)22(25)18-24(15-5-2-6-16-24)17-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,11-14H,2,5-6,15-18H2/q+1