1-[(3-chlorophenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium Traditional Name: 1-(3-chlorobenzyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium Formula: C21H23ClN+ MolecularWeight: 324.86702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN/c22-21-13-7-11-20(17-21)18-23(14-5-2-6-15-23)16-8-12-19-9-3-1-4-10-19/h1,3-4,7,9-11,13,17H,2,5-6,14-16,18H2/q+1