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

Systemtic Name: 4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-methyl-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-benzyl-2-keto-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H27NO3 MolecularWeight: 377.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H27NO3/c1-16-7-6-12-25(14-16)15-21-22(26)11-10-19-17(2)20(24(27)28-23(19)21)13-18-8-4-3-5-9-18/h3-5,8-11,16,26H,6-7,12-15H2,1-2H3