1-benzothiophen-2-ylmethyl-[[4-[1-(furan-2-ylcarbonyl)piperidin-4-yl]oxyphenyl]methyl]-methyl-azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[4-[1-(furan-2-ylcarbonyl)piperidin-4-yl]oxyphenyl]methyl]-methyl-azanium Openeye Name: benzothiophen-2-ylmethyl-[[4-[[1-(furan-2-carbonyl)-4-piperidyl]oxy]phenyl]methyl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[4-[[1-[2-furanyl(oxo)methyl]-4-piperidinyl]oxy]phenyl]methyl]-methylammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[4-[1-(furan-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[4-[[1-(2-furoyl)-4-piperidyl]oxy]benzyl]-methyl-ammonium Formula: C27H29N2O3S+ MolecularWeight: 461.59576

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=CO3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=CO3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N2O3S/c1-28(19-24-17-21-5-2-3-7-26(21)33-24)18-20-8-10-22(11-9-20)32-23-12-14-29(15-13-23)27(30)25-6-4-16-31-25/h2-11,16-17,23H,12-15,18-19H2,1H3/p+1