(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]azanium

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]ammonium Formula: C24H29FN2O3+2 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=C(C=C3)F)[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=C(C=C3)F)[NH+]4CCOCC4

InChI

InChI=1S/C24H27FN2O3/c1-2-17-3-8-21-19(14-24(28)30-23(21)13-17)15-26-16-22(27-9-11-29-12-10-27)18-4-6-20(25)7-5-18/h3-8,13-14,22,26H,2,9-12,15-16H2,1H3/p+2/t22-/m1/s1