1-methyl-1-phenethyl-4-(phenylmethylidene)piperidin-1-ium iodide

Systemtic Name: 1-methyl-1-phenethyl-4-(phenylmethylidene)piperidin-1-ium iodide Openeye Name: 4-benzylidene-1-methyl-1-phenethyl-piperidin-1-ium iodide CAS Name: 1-methyl-1-phenethyl-4-(phenylmethylene)piperidin-1-ium iodide IUPAC Name: 4-benzylidene-1-methyl-1-phenethylpiperidin-1-ium iodide Traditional Name: 4-benzal-1-methyl-1-phenethyl-piperidin-1-ium iodide Formula: C21H26IN MolecularWeight: 419.34231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=CC2=CC=CC=C2)CC1)CCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(CCC(=CC2=CC=CC=C2)CC1)CCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H26N.HI/c1-22(15-12-19-8-4-2-5-9-19)16-13-21(14-17-22)18-20-10-6-3-7-11-20;/h2-11,18H,12-17H2,1H3;1H/q+1;/p-1