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

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]ethoxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-[4-[2-(4-isonicotinoylpiperazin-1-ium-1-yl)ethoxy]benzyl]-methyl-ammonium Formula: C29H34N4O2S+2 MolecularWeight: 502.67086

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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=NC=C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O2S/c1-31(22-27-20-25-4-2-3-5-28(25)36-27)21-23-6-8-26(9-7-23)35-19-18-32-14-16-33(17-15-32)29(34)24-10-12-30-13-11-24/h2-13,20H,14-19,21-22H2,1H3/p+2