8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H27F3NO3+ MolecularWeight: 422.46059

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)C(F)(F)F)C4=CC=CC=C4)O)CCC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)C(F)(F)F)C4=CC=CC=C4)O)CCC2=O

InChI

InChI=1S/C23H26F3NO3/c1-14-9-11-27(12-10-14)13-17-18(28)8-7-16-20(29)19(15-5-3-2-4-6-15)22(23(24,25)26)30-21(16)17/h2-6,14,17,21,29H,7-13H2,1H3/p+1