6-ethyl-3-(4-fluorophenyl)-2-methyl-7-oxidanyl-8-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]chromen-4-one

Systemtic Name: 6-ethyl-3-(4-fluorophenyl)-2-methyl-7-oxidanyl-8-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]chromen-4-one Openeye Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-[(S)-phenyl(1-piperidin-1-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]chromone Formula: C30H31FNO3+ MolecularWeight: 472.570443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)F)C(C4=CC=CC=C4)[NH+]5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)F)[C@H](C4=CC=CC=C4)[NH+]5CCCCC5)O

InChI

InChI=1S/C30H30FNO3/c1-3-20-18-24-29(34)25(21-12-14-23(31)15-13-21)19(2)35-30(24)26(28(20)33)27(22-10-6-4-7-11-22)32-16-8-5-9-17-32/h4,6-7,10-15,18,27,33H,3,5,8-9,16-17H2,1-2H3/p+1/t27-/m0/s1