4-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(5-ethyl-2-methyl-1-pyridin-1-iumyl)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(5-ethyl-2-methylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(5-ethyl-2-methyl-pyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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