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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

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