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

Systemtic Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(propylamino)-1,3-thiazolidin-3-ium-4-one Openeye Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(propylamino)thiazolidin-3-ium-4-one CAS Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(propylamino)-4-thiazolidin-3-iumone IUPAC Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylidene-3-(propylamino)-1,3-thiazolidin-3-ium-4-one Traditional Name: 3,5-ditert-butyl-5-(4-hydroxyphenyl)-2-methylene-3-(propylamino)thiazolidin-3-ium-4-one Formula: C21H33N2O2S+ MolecularWeight: 377.56392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2S/c1-9-14-22-23(20(6,7)8)15(2)26-21(18(23)25,19(3,4)5)16-10-12-17(24)13-11-16/h10-13,22H,2,9,14H2,1,3-8H3/p+1