6-chloranyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-4-phenyl-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-4-phenyl-chromen-7-olate Openeye Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxo-4-phenyl-chromen-7-olate CAS Name: 6-chloro-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-oxo-4-phenyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxo-4-phenylchromen-7-olate Traditional Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-keto-4-phenyl-chromen-7-olate Formula: C23H24ClNO3 MolecularWeight: 397.89456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C23H24ClNO3/c1-2-16-10-6-7-11-25(16)14-19-22(27)20(24)12-18-17(13-21(26)28-23(18)19)15-8-4-3-5-9-15/h3-5,8-9,12-13,16,27H,2,6-7,10-11,14H2,1H3/t16-/m0/s1