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

Systemtic Name: 6,7-dimethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]coumarin Formula: C23H24NO2+ MolecularWeight: 346.44216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC(=CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC(=CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H23NO2/c1-16-12-21-20(14-23(25)26-22(21)13-17(16)2)15-24-10-8-19(9-11-24)18-6-4-3-5-7-18/h3-8,12-14H,9-11,15H2,1-2H3/p+1