(5Z)-3-cyclobutyl-2-cyclopentyl-5-(iodanylmethylidene)-4-methyl-4-phenyl-1,3-oxazol-3-ium iodide

Systemtic Name: (5Z)-3-cyclobutyl-2-cyclopentyl-5-(iodanylmethylidene)-4-methyl-4-phenyl-1,3-oxazol-3-ium iodide Openeye Name: (5Z)-3-cyclobutyl-2-cyclopentyl-5-(iodomethylene)-4-methyl-4-phenyl-oxazol-3-ium iodide CAS Name: (5Z)-3-cyclobutyl-2-cyclopentyl-5-(iodomethylidene)-4-methyl-4-phenyloxazol-3-ium iodide IUPAC Name: (5Z)-3-cyclobutyl-2-cyclopentyl-5-(iodomethylidene)-4-methyl-4-phenyl-1,3-oxazol-3-ium iodide Traditional Name: (5Z)-3-cyclobutyl-2-cyclopentyl-5-(iodomethylene)-4-methyl-4-phenyl-2-oxazolin-3-ium iodide Formula: C20H25I2NO MolecularWeight: 549.22754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CI)OC(=[N+]1C2CCC2)C3CCCC3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1(/C(=C/I)/OC(=[N+]1C2CCC2)C3CCCC3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C20H25INO.HI/c1-20(16-10-3-2-4-11-16)18(14-21)23-19(15-8-5-6-9-15)22(20)17-12-7-13-17;/h2-4,10-11,14-15,17H,5-9,12-13H2,1H3;1H/q+1;/p-1/b18-14-;