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

Systemtic Name: 1-(iodanylmethyl)-1-methyl-4-(phenylmethylidene)piperidin-1-ium iodide Openeye Name: 4-benzylidene-1-(iodomethyl)-1-methyl-piperidin-1-ium iodide CAS Name: 1-(iodomethyl)-1-methyl-4-(phenylmethylene)piperidin-1-ium iodide IUPAC Name: 4-benzylidene-1-(iodomethyl)-1-methylpiperidin-1-ium iodide Traditional Name: 4-benzal-1-(iodomethyl)-1-methyl-piperidin-1-ium iodide Formula: C14H19I2N MolecularWeight: 455.1163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19IN.HI/c1-16(12-15)9-7-14(8-10-16)11-13-5-3-2-4-6-13;/h2-6,11H,7-10,12H2,1H3;1H/q+1;/p-1