N-ethenyl-N-phenyl-ethanamide; 3-ethyl-1,3-benzothiazol-3-ium; iodide

Systemtic Name: N-ethenyl-N-phenyl-ethanamide; 3-ethyl-1,3-benzothiazol-3-ium; iodide Openeye Name: 3-ethyl-1,3-benzothiazol-3-ium; N-phenyl-N-vinyl-acetamide; iodide CAS Name: N-ethenyl-N-phenylacetamide; 3-ethyl-1,3-benzothiazol-3-ium; iodide IUPAC Name: N-ethenyl-N-phenylacetamide; 3-ethyl-1,3-benzothiazol-3-ium; iodide Traditional Name: 3-ethyl-1,3-benzothiazol-3-ium; N-phenyl-N-vinyl-acetamide; iodide Formula: C19H21IN2OS MolecularWeight: 452.35231

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CSC2=CC=CC=C21.CC(=O)N(C=C)C1=CC=CC=C1.[I-]

Isomeric SMILES

CC[N+]1=CSC2=CC=CC=C21.CC(=O)N(C=C)C1=CC=CC=C1.[I-]

InChI

InChI=1S/C10H11NO.C9H10NS.HI/c1-3-11(9(2)12)10-7-5-4-6-8-10;1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-8H,1H2,2H3;3-7H,2H2,1H3;1H/q;+1;/p-1