[(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-1-(benzothiophen-2-ylmethyl)-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-3-hydroxy-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-3-hydroxypiperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-1-(benzothiophen-2-ylmethyl)-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H29N3OS+2 MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H27N3OS/c1-24(12-9-18-7-4-5-11-23-18)20-10-13-25(16-21(20)26)15-19-14-17-6-2-3-8-22(17)27-19/h2-8,11,14,20-21,26H,9-10,12-13,15-16H2,1H3/p+2/t20-,21-/m1/s1