N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C21H23IN2O2 MolecularWeight: 462.32399

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C=CN(C3=CC=CC=C3)C(=O)C.[I-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)/C=C/N(C3=CC=CC=C3)C(=O)C.[I-]

InChI

InChI=1S/C21H23N2O2.HI/c1-5-22-19-13-15(2)16(3)14-20(19)25-21(22)11-12-23(17(4)24)18-9-7-6-8-10-18;/h6-14H,5H2,1-4H3;1H/q+1;/p-1