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

Systemtic Name: 6-chloranyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-6-chloro-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-methyl-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-6-chloro-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 3-benzyl-6-chloro-2-keto-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-7-olate Formula: C24H26ClNO3 MolecularWeight: 411.92114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C3C(=CC(=C2[O-])Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C3C(=CC(=C2[O-])Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H26ClNO3/c1-15-7-6-10-26(13-15)14-20-22(27)21(25)12-18-16(2)19(24(28)29-23(18)20)11-17-8-4-3-5-9-17/h3-5,8-9,12,15,27H,6-7,10-11,13-14H2,1-2H3/t15-/m0/s1