8-chloranyl-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate

Systemtic Name: 8-chloranyl-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 8-chloro-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 8-chloro-6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 8-chloro-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 8-chloro-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C20H24ClNO3/c1-2-12-6-3-4-9-22(12)11-16-18(23)17(21)10-15-13-7-5-8-14(13)20(24)25-19(15)16/h10,12,23H,2-9,11H2,1H3/t12-/m0/s1