3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium iodide

Systemtic Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium iodide Openeye Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-1,3-benzoxazol-3-ium iodide CAS Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethenyl]-1,3-benzoxazol-3-ium iodide IUPAC Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium iodide Traditional Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-1,3-benzoxazol-3-ium iodide Formula: C19H23IN2O MolecularWeight: 422.30319

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C=CC2=[N+](C3=CC=CC=C3O2)CC)C.[I-]

Isomeric SMILES

CCN1C(=CC(=C1C)C=CC2=[N+](C3=CC=CC=C3O2)CC)C.[I-]

InChI

InChI=1S/C19H23N2O.HI/c1-5-20-14(3)13-16(15(20)4)11-12-19-21(6-2)17-9-7-8-10-18(17)22-19;/h7-13H,5-6H2,1-4H3;1H/q+1;/p-1