4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)chromen-5-olate

Systemtic Name: 4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)chromen-5-olate Openeye Name: 3-benzyl-4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-5-olate CAS Name: 4,7-dimethyl-6-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-3-(phenylmethyl)-1-benzopyran-5-olate IUPAC Name: 3-benzyl-4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-5-olate Traditional Name: 3-benzyl-2-keto-4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-5-olate Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C(=C3C)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C(=C3C)CC4=CC=CC=C4)[O-]

InChI

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