1-(4,6-diphenylthiopyran-2-ylidene)pyrrolidin-1-ium iodide

Systemtic Name: 1-(4,6-diphenylthiopyran-2-ylidene)pyrrolidin-1-ium iodide Openeye Name: 1-(4,6-diphenylthiopyran-2-ylidene)pyrrolidin-1-ium iodide CAS Name: 1-(4,6-diphenyl-2-thiopyranylidene)pyrrolidin-1-ium iodide IUPAC Name: 1-(4,6-diphenylthiopyran-2-ylidene)pyrrolidin-1-ium iodide Traditional Name: 1-(4,6-diphenylthiopyran-2-ylidene)pyrrolidin-1-ium iodide Formula: C21H20INS MolecularWeight: 445.35967

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C=C(C=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C1.[I-]

Isomeric SMILES

C1CC[N+](=C2C=C(C=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C1.[I-]

InChI

InChI=1S/C21H20NS.HI/c1-3-9-17(10-4-1)19-15-20(18-11-5-2-6-12-18)23-21(16-19)22-13-7-8-14-22;/h1-6,9-12,15-16H,7-8,13-14H2;1H/q+1;/p-1