1-benzothiophen-2-ylmethyl-[[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]methyl]-methyl-azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]methyl]-methyl-azanium Openeye Name: benzothiophen-2-ylmethyl-[[4-[[1-(2-fluorophenyl)sulfonyl-4-piperidyl]oxy]phenyl]methyl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[4-[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]oxy]phenyl]methyl]-methylammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]methyl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[4-[[1-(2-fluorophenyl)sulfonyl-4-piperidyl]oxy]benzyl]-methyl-ammonium Formula: C28H30FN2O3S2+ MolecularWeight: 525.677803

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H29FN2O3S2/c1-30(20-25-18-22-6-2-4-8-27(22)35-25)19-21-10-12-23(13-11-21)34-24-14-16-31(17-15-24)36(32,33)28-9-5-3-7-26(28)29/h2-13,18,24H,14-17,19-20H2,1H3/p+1