6-ethyl-3-(4-fluorophenyl)-2-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 6-ethyl-3-(4-fluorophenyl)-2-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-3-(4-fluorophenyl)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C24H27FNO3+ MolecularWeight: 396.474483

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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[NH+]4CCCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)F)C[NH+]4CCCCC4)O

InChI

InChI=1S/C24H26FNO3/c1-3-16-13-19-23(28)21(17-7-9-18(25)10-8-17)15(2)29-24(19)20(22(16)27)14-26-11-5-4-6-12-26/h7-10,13,27H,3-6,11-12,14H2,1-2H3/p+1