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

Systemtic Name: 3-ethyl-2-[(E)-2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethenyl]-2,3-dihydro-1,3-benzoxazol-3-ium iodide Openeye Name: 3-ethyl-2-[(E)-2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-2,3-dihydro-1,3-benzoxazol-3-ium iodide CAS Name: 3-ethyl-2-[(E)-2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethenyl]-2,3-dihydro-1,3-benzoxazol-3-ium iodide IUPAC Name: 3-ethyl-2-[(E)-2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-2,3-dihydro-1,3-benzoxazol-3-ium iodide Traditional Name: 3-ethyl-2-[(E)-2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-2,3-dihydro-1,3-benzoxazol-3-ium iodide Formula: C19H25IN2O MolecularWeight: 424.31907

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(OC2=CC=CC=C21)C=CC3=C(N(C(=C3)C)CC)C.[I-]

Isomeric SMILES

CC[NH+]1C(OC2=CC=CC=C21)/C=C/C3=C(N(C(=C3)C)CC)C.[I-]

InChI

InChI=1S/C19H24N2O.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;/h7-13,19H,5-6H2,1-4H3;1H/b12-11+;