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

Systemtic Name: 7-ethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-ethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-ethyl-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:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

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