(2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylidene]-1-ethyl-quinoline chloride

Systemtic Name: (2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylidene]-1-ethyl-quinoline chloride Openeye Name: (2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylene]-1-ethyl-quinoline chloride CAS Name: (2E)-2-[(3,6-dimethyl-2-phenyl-4-pyrimidin-3-iumyl)methylidene]-1-ethylquinoline chloride IUPAC Name: (2E)-2-[(3,6-dimethyl-2-phenylpyrimidin-3-ium-4-yl)methylidene]-1-ethylquinoline chloride Traditional Name: (2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylene]-1-ethyl-quinoline chloride Formula: C24H24ClN3 MolecularWeight: 389.92046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC(=NC(=[N+]2C)C3=CC=CC=C3)C)C=CC4=CC=CC=C41.[Cl-]

Isomeric SMILES

CCN1/C(=C/C2=CC(=NC(=[N+]2C)C3=CC=CC=C3)C)/C=CC4=CC=CC=C41.[Cl-]

InChI

InChI=1S/C24H24N3.ClH/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20;/h5-17H,4H2,1-3H3;1H/q+1;/p-1