8-methyl-7-oxidanyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]coumarin Formula: C22H22NO3+ MolecularWeight: 348.41498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC(=CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC(=CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H21NO3/c1-15-20(24)8-7-19-18(13-21(25)26-22(15)19)14-23-11-9-17(10-12-23)16-5-3-2-4-6-16/h2-9,13,24H,10-12,14H2,1H3/p+1