1,3-benzoxazol-3-ium; (2E)-2-(iodanylmethylidene)-3,4,4-trimethyl-1,3-thiazolidine

Systemtic Name: 1,3-benzoxazol-3-ium; (2E)-2-(iodanylmethylidene)-3,4,4-trimethyl-1,3-thiazolidine Openeye Name: 1,3-benzoxazol-3-ium; (2E)-2-(iodomethylene)-3,4,4-trimethyl-thiazolidine CAS Name: 1,3-benzoxazol-3-ium; (2E)-2-(iodomethylidene)-3,4,4-trimethylthiazolidine IUPAC Name: 1,3-benzoxazol-3-ium; (2E)-2-(iodomethylidene)-3,4,4-trimethyl-1,3-thiazolidine Traditional Name: 1,3-benzoxazol-3-ium; (2E)-2-(iodomethylene)-3,4,4-trimethyl-thiazolidine Formula: C14H18IN2OS+ MolecularWeight: 389.27499

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(=CI)N1C)C.C1=CC=C2C(=C1)[NH+]=CO2

Isomeric SMILES

CC1(CS/C(=C/I)/N1C)C.C1=CC=C2C(=C1)[NH+]=CO2

InChI

InChI=1S/C7H12INS.C7H5NO/c1-7(2)5-10-6(4-8)9(7)3;1-2-4-7-6(3-1)8-5-9-7/h4H,5H2,1-3H3;1-5H/p+1/b6-4+;