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

Systemtic Name: 1-(iodanylmethyl)-1-phenethyl-4-(phenylmethylidene)piperidin-1-ium iodide Openeye Name: 4-benzylidene-1-(iodomethyl)-1-phenethyl-piperidin-1-ium iodide CAS Name: 1-(iodomethyl)-1-phenethyl-4-(phenylmethylene)piperidin-1-ium iodide IUPAC Name: 4-benzylidene-1-(iodomethyl)-1-phenethylpiperidin-1-ium iodide Traditional Name: 4-benzal-1-(iodomethyl)-1-phenethyl-piperidin-1-ium iodide Formula: C21H25I2N MolecularWeight: 545.23884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1=CC2=CC=CC=C2)(CCC3=CC=CC=C3)CI.[I-]

Isomeric SMILES

C1C[N+](CCC1=CC2=CC=CC=C2)(CCC3=CC=CC=C3)CI.[I-]

InChI

InChI=1S/C21H25IN.HI/c22-18-23(14-11-19-7-3-1-4-8-19)15-12-21(13-16-23)17-20-9-5-2-6-10-20;/h1-10,17H,11-16,18H2;1H/q+1;/p-1