2-methyl-3-phenyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one

Systemtic Name: 2-methyl-3-phenyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 2-methyl-3-phenyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 2-methyl-3-phenyl-7-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 2-methyl-3-phenyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 2-methyl-3-phenyl-7-(2-piperidin-1-ium-1-ylethoxy)chromone Formula: C23H26NO3+ MolecularWeight: 364.45744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25NO3/c1-17-22(18-8-4-2-5-9-18)23(25)20-11-10-19(16-21(20)27-17)26-15-14-24-12-6-3-7-13-24/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3/p+1