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

Systemtic Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-benzyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-keto-4-methyl-chromen-7-olate Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H29NO3/c1-3-19-11-7-8-14-26(19)16-22-23(27)13-12-20-17(2)21(25(28)29-24(20)22)15-18-9-5-4-6-10-18/h4-6,9-10,12-13,19,27H,3,7-8,11,14-16H2,1-2H3