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

Systemtic Name: 2-(4-methoxyphenyl)-3-[4-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]phenoxy]-1-benzothiophen-6-ol Openeye Name: 2-(4-methoxyphenyl)-3-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenoxy]benzothiophen-6-ol CAS Name: 2-(4-methoxyphenyl)-3-[4-[2-(1-oxido-1-piperidin-1-iumyl)ethoxy]phenoxy]-1-benzothiophen-6-ol IUPAC Name: 2-(4-methoxyphenyl)-3-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenoxy]-1-benzothiophen-6-ol Traditional Name: 2-(4-methoxyphenyl)-3-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]phenoxy]benzothiophen-6-ol Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCC[N+]5(CCCCC5)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCC[N+]5(CCCCC5)[O-]

InChI

InChI=1S/C28H29NO5S/c1-32-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)35-28)34-24-12-10-23(11-13-24)33-18-17-29(31)15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3