7-methyl-4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-coumarin Formula: C24H30NO2+ MolecularWeight: 364.5005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO2/c1-6-18(7-2)19-8-10-25(11-9-19)15-20-13-24(26)27-23-12-17(5)21(16(3)4)14-22(20)23/h8-14,16,18H,6-7,15H2,1-5H3/q+1