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

Systemtic Name: 6-chloranyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-4-propyl-chromen-7-olate Openeye Name: 6-chloro-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-oxo-4-propyl-chromen-7-olate CAS Name: 6-chloro-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-oxo-4-propylchromen-7-olate Traditional Name: 6-chloro-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-keto-4-propyl-chromen-7-olate Formula: C20H26ClNO3 MolecularWeight: 363.87834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCCCC3CC

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCCCC3CC

InChI

InChI=1S/C20H26ClNO3/c1-3-7-13-10-18(23)25-20-15(13)11-17(21)19(24)16(20)12-22-9-6-5-8-14(22)4-2/h10-11,14,24H,3-9,12H2,1-2H3