6-chloranyl-2-(furan-2-yl)-7-methyl-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one

Systemtic Name: 6-chloranyl-2-(furan-2-yl)-7-methyl-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 6-chloro-2-(2-furyl)-7-methyl-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 6-chloro-2-(2-furanyl)-7-methyl-3-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 6-chloro-2-(2-furyl)-7-methyl-3-(2-piperidin-1-ium-1-ylethoxy)chromone Formula: C21H23ClNO4+ MolecularWeight: 388.86462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC[NH+]3CCCCC3)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC[NH+]3CCCCC3)C4=CC=CO4)Cl

InChI

InChI=1S/C21H22ClNO4/c1-14-12-18-15(13-16(14)22)19(24)21(20(27-18)17-6-5-10-25-17)26-11-9-23-7-3-2-4-8-23/h5-6,10,12-13H,2-4,7-9,11H2,1H3/p+1