4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-ethylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(4-ethyl-1-pyridin-1-iumyl)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(4-ethylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C21H24NO2/c1-5-16-6-8-22(9-7-16)13-17-11-21(23)24-20-10-15(4)18(14(2)3)12-19(17)20/h6-12,14H,5,13H2,1-4H3/q+1