3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-chlorophenyl)-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C23H24ClNO3 MolecularWeight: 397.89456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C23H24ClNO3/c1-2-17-5-3-4-12-25(17)13-19-21(26)11-10-18-22(27)20(14-28-23(18)19)15-6-8-16(24)9-7-15/h6-11,14,17,26H,2-5,12-13H2,1H3