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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

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