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

Systemtic Name: 7-methyl-4-[(3-phenylpyridin-1-ium-1-yl)methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(3-phenylpyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-methyl-4-[(3-phenyl-1-pyridin-1-iumyl)methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(3-phenylpyridin-1-ium-1-yl)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(3-phenylpyridin-1-ium-1-yl)methyl]coumarin Formula: C25H24NO2+ MolecularWeight: 370.46356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=CC(=C3)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=CC(=C3)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H24NO2/c1-17(2)22-14-23-21(13-25(27)28-24(23)12-18(22)3)16-26-11-7-10-20(15-26)19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3/q+1