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

Systemtic Name: 7-methoxy-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-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-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-methoxy-coumarin Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H24NO3/c1-4-15(5-2)16-8-10-22(11-9-16)14-17-12-21(23)25-20-13-18(24-3)6-7-19(17)20/h6-13,15H,4-5,14H2,1-3H3/q+1