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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC=C(C=C3)C(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC=C(C=C3)C(CC)CC

InChI

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