1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]ethoxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]ethoxy]phenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[4-[2-(4-nicotinoylpiperazin-1-ium-1-yl)ethoxy]benzyl]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=CN=CC=C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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