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

Systemtic Name: N-[(E)-2-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C20H21IN2O2 MolecularWeight: 448.29741

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H21N2O2.HI/c1-4-21-18-14-15(2)10-11-19(18)24-20(21)12-13-22(16(3)23)17-8-6-5-7-9-17;/h5-14H,4H2,1-3H3;1H/q+1;/p-1