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

Systemtic Name: 6-chloranyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-keto-4-methyl-chromen-7-olate Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO3/c1-3-12-6-4-5-7-20(12)10-14-17(22)15(19)9-13-11(2)8-16(21)23-18(13)14/h8-9,12,22H,3-7,10H2,1-2H3/t12-/m0/s1