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

Systemtic Name: 4-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(3-acetyl-1-pyridin-1-iumyl)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(3-acetylpyridin-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=CC(=C3)C(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=CC(=C3)C(=O)C)C(C)C

InChI

InChI=1S/C21H22NO3/c1-13(2)18-10-19-17(9-21(24)25-20(19)8-14(18)3)12-22-7-5-6-16(11-22)15(4)23/h5-11,13H,12H2,1-4H3/q+1