3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(pentylamino)-1,3-thiazolidin-3-ium-4-one

Systemtic Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(pentylamino)-1,3-thiazolidin-3-ium-4-one Openeye Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(pentylamino)thiazolidin-3-ium-4-one CAS Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(pentylamino)-4-thiazolidin-3-iumone IUPAC Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(pentylamino)-1,3-thiazolidin-3-ium-4-one Traditional Name: 3-(amylamino)-3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-thiazolidin-3-ium-4-one Formula: C23H37N2O2S+ MolecularWeight: 405.61708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN[N+]1(C(=C)SC(C1=O)(C2=CC=C(C=C2)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCN[N+]1(C(=C)SC(C1=O)(C2=CC=C(C=C2)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C23H36N2O2S/c1-9-10-11-16-24-25(22(6,7)8)17(2)28-23(20(25)27,21(3,4)5)18-12-14-19(26)15-13-18/h12-15,24H,2,9-11,16H2,1,3-8H3/p+1