7,8-dimethyl-4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 4-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 4-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C22H26NO2/c1-5-17(6-2)18-9-11-23(12-10-18)14-19-13-21(24)25-22-16(4)15(3)7-8-20(19)22/h7-13,17H,5-6,14H2,1-4H3/q+1