1-ethyl-1-[4-[4-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]phenoxy]butyl]piperidin-1-ium-2-carboxylate

Systemtic Name: 1-ethyl-1-[4-[4-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrochromen-4-yl]phenoxy]butyl]piperidin-1-ium-2-carboxylate Openeye Name: 1-ethyl-1-[4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]phenoxy]butyl]piperidin-1-ium-2-carboxylate CAS Name: 1-ethyl-1-[4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy]butyl]-2-piperidin-1-iumcarboxylate IUPAC Name: 1-ethyl-1-[4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-4-yl]phenoxy]butyl]piperidin-1-ium-2-carboxylate Traditional Name: 1-ethyl-1-[4-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-chroman-4-yl]phenoxy]butyl]piperidin-1-ium-2-carboxylate Formula: C34H41NO6 MolecularWeight: 559.69244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1C(=O)[O-])CCCCOC2=CC=C(C=C2)C3C4=C(C=C(C=C4)O)OCC3(C)C5=CC=C(C=C5)O

Isomeric SMILES

CC[N+]1(CCCCC1C(=O)[O-])CCCCOC2=CC=C(C=C2)C3C4=C(C=C(C=C4)O)OCC3(C)C5=CC=C(C=C5)O

InChI

InChI=1S/C34H41NO6/c1-3-35(19-5-4-8-30(35)33(38)39)20-6-7-21-40-28-16-9-24(10-17-28)32-29-18-15-27(37)22-31(29)41-23-34(32,2)25-11-13-26(36)14-12-25/h9-18,22,30,32H,3-8,19-21,23H2,1-2H3,(H2-,36,37,38,39)