4-[4-[1-(1-methylpiperazin-1-ium-1-yl)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: 4-[4-[1-(1-methylpiperazin-1-ium-1-yl)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol Openeye Name: 4-[4-[1-(1-methylpiperazin-1-ium-1-yl)ethoxy]phenyl]-3-phenyl-chroman-7-ol CAS Name: 4-[4-[1-(1-methyl-1-piperazin-1-iumyl)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: 4-[4-[1-(1-methylpiperazin-1-ium-1-yl)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol Traditional Name: 4-[4-[1-(1-methylpiperazin-1-ium-1-yl)ethoxy]phenyl]-3-phenyl-chroman-7-ol Formula: C28H33N2O3+ MolecularWeight: 445.57322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(CCNCC1)C)OC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC([N+]1(CCNCC1)C)OC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C28H32N2O3/c1-20(30(2)16-14-29-15-17-30)33-24-11-8-22(9-12-24)28-25-13-10-23(31)18-27(25)32-19-26(28)21-6-4-3-5-7-21/h3-13,18,20,26,28-29H,14-17,19H2,1-2H3/p+1