1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethoxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[4-[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethoxy]benzyl]ammonium Formula: C28H33N3O2S2+2 MolecularWeight: 507.71052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H31N3O2S2/c1-29(21-25-19-23-5-2-3-6-26(23)35-25)20-22-8-10-24(11-9-22)33-17-16-30-12-14-31(15-13-30)28(32)27-7-4-18-34-27/h2-11,18-19H,12-17,20-21H2,1H3/p+2