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

Systemtic Name: 2-(4-methoxyphenyl)-3-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethoxy]-1-benzothiophen-6-ol Openeye Name: 2-(4-methoxyphenyl)-3-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]benzothiophen-6-ol CAS Name: 2-(4-methoxyphenyl)-3-[2-(1-oxido-1-piperidin-1-iumyl)ethoxy]-1-benzothiophen-6-ol IUPAC Name: 2-(4-methoxyphenyl)-3-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]-1-benzothiophen-6-ol Traditional Name: 2-(4-methoxyphenyl)-3-[2-(1-oxidopiperidin-1-ium-1-yl)ethoxy]benzothiophen-6-ol Formula: C22H25NO4S MolecularWeight: 399.5032

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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)OCC[N+]4(CCCCC4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OCC[N+]4(CCCCC4)[O-]

InChI

InChI=1S/C22H25NO4S/c1-26-18-8-5-16(6-9-18)22-21(19-10-7-17(24)15-20(19)28-22)27-14-13-23(25)11-3-2-4-12-23/h5-10,15,24H,2-4,11-14H2,1H3