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

Systemtic Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-chromen-7-olate CAS Name: 8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenylchromen-7-olate Traditional Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-3-phenyl-chromen-7-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-2-17-10-6-7-13-24(17)14-19-21(25)12-11-18-22(26)20(15-27-23(18)19)16-8-4-3-5-9-16/h3-5,8-9,11-12,15,17,25H,2,6-7,10,13-14H2,1H3