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

Systemtic Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium chloride Openeye Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-1,3-benzoxazol-3-ium chloride CAS Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethenyl]-1,3-benzoxazol-3-ium chloride IUPAC Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1,3-benzoxazol-3-ium chloride Traditional Name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-1,3-benzoxazol-3-ium chloride Formula: C19H23ClN2O MolecularWeight: 330.85172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N2O.ClH/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