6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-1-benzothiophene 1-oxide

Systemtic Name: 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-1-benzothiophene 1-oxide Openeye Name: 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenoxy]benzothiophene 1-oxide CAS Name: 6-methoxy-2-(4-methoxyphenyl)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenoxy]-1-benzothiophene 1-oxide IUPAC Name: 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-1-benzothiophene 1-oxide Traditional Name: 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenoxy]benzothiophene 1-oxide Formula: C29H32NO5S+ MolecularWeight: 506.63308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO5S/c1-32-22-8-6-21(7-9-22)29-28(26-15-14-25(33-2)20-27(26)36(29)31)35-24-12-10-23(11-13-24)34-19-18-30-16-4-3-5-17-30/h6-15,20H,3-5,16-19H2,1-2H3/p+1