2-(4-hydroxyphenyl)-3-[4-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]phenoxy]-1-benzothiophen-6-ol

Systemtic Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]phenoxy]-1-benzothiophen-6-ol Openeye Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenoxy]benzothiophen-6-ol CAS Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-oxido-1-piperidin-1-iumyl)ethoxy]phenoxy]-1-benzothiophen-6-ol IUPAC Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenoxy]-1-benzothiophen-6-ol Traditional Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenoxy]benzothiophen-6-ol Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)[O-]

InChI

InChI=1S/C27H27NO5S/c29-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)34-27)33-23-11-9-22(10-12-23)32-17-16-28(31)14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2