1-hexyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium iodide

Systemtic Name: 1-hexyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium iodide Openeye Name: 1-hexyl-2-[(E)-2-(2-thienyl)vinyl]pyridin-1-ium iodide CAS Name: 1-hexyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium iodide IUPAC Name: 1-hexyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium iodide Traditional Name: 1-hexyl-2-[(E)-2-(2-thienyl)vinyl]pyridin-1-ium iodide Formula: C17H22INS MolecularWeight: 399.33275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=CC=C1C=CC2=CC=CS2.[I-]

Isomeric SMILES

CCCCCC[N+]1=CC=CC=C1/C=C/C2=CC=CS2.[I-]

InChI

InChI=1S/C17H22NS.HI/c1-2-3-4-6-13-18-14-7-5-9-16(18)11-12-17-10-8-15-19-17;/h5,7-12,14-15H,2-4,6,13H2,1H3;1H/q+1;/p-1/b12-11+;