(2E,5S)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-5-[(1-methylpyridin-4-ylidene)methyl]cyclopentan-1-one

Systemtic Name: (2E,5S)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-5-[(1-methylpyridin-4-ylidene)methyl]cyclopentan-1-one Openeye Name: (2E,5S)-2-[(1-methylpyridin-1-ium-4-yl)methylene]-5-[(1-methyl-4-pyridylidene)methyl]cyclopentanone CAS Name: (2E,5S)-2-[(1-methyl-4-pyridin-1-iumyl)methylidene]-5-[(1-methyl-4-pyridinylidene)methyl]-1-cyclopentanone IUPAC Name: (2E,5S)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-5-[(1-methylpyridin-4-ylidene)methyl]cyclopentan-1-one Traditional Name: (2E,5S)-2-[(1-methylpyridin-1-ium-4-yl)methylene]-5-[(1-methyl-4-pyridylidene)methyl]cyclopentanone Formula: C19H21N2O+ MolecularWeight: 293.38284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC2CCC(=CC3=CC=[N+](C=C3)C)C2=O)C=C1

Isomeric SMILES

CN1C=CC(=C[C@@H]2CC/C(=C\C3=CC=[N+](C=C3)C)/C2=O)C=C1

InChI

InChI=1S/C19H21N2O/c1-20-9-5-15(6-10-20)13-17-3-4-18(19(17)22)14-16-7-11-21(2)12-8-16/h5-14,17H,3-4H2,1-2H3/q+1/b18-14+/t17-/m0/s1