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[(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium

[(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name:[(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium
Openeye Name:[(3R,4R)-1-[(5-cyclopentyl-2-thienyl)methyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium
CAS Name:[(3R,4R)-1-[(5-cyclopentyl-2-thiophenyl)methyl]-3-hydroxy-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium
IUPAC Name:[(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-3-hydroxypiperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium
Traditional Name:[(3R,4R)-1-[(5-cyclopentyl-2-thienyl)methyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium
Formula: C23H35N3OS+2
MolecularWeight: 401.6085
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CC=C(S3)C4CCCC4


Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=C(S3)C4CCCC4


InChI

InChI=1S/C23H33N3OS/c1-25(14-11-19-8-4-5-13-24-19)21-12-15-26(17-22(21)27)16-20-9-10-23(28-20)18-6-2-3-7-18/h4-5,8-10,13,18,21-22,27H,2-3,6-7,11-12,14-17H2,1H3/p+2/t21-,22-/m1/s1


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