3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol

Systemtic Name: 3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol Openeye Name: 3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol CAS Name: 3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2H-1-benzopyran-7-ol IUPAC Name: 3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol Traditional Name: 3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol Formula: C29H32NO4+ MolecularWeight: 458.56868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCC[NH+]4CCCCC4)C5=CC=C(C=C5)O

Isomeric SMILES

CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCC[NH+]4CCCCC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/p+1