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

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]coumarin Formula: C22H21ClNO2+ MolecularWeight: 366.86064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(=CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(=CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20ClNO2/c1-15-11-21-19(13-20(15)23)18(12-22(25)26-21)14-24-9-7-17(8-10-24)16-5-3-2-4-6-16/h2-7,11-13H,8-10,14H2,1H3/p+1