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

Systemtic Name: [(3R,4R)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-1-[(5-acetyl-3-thienyl)methyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-hydroxy-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-1-[(5-acetylthiophen-3-yl)methyl]-3-hydroxypiperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-1-[(5-acetyl-3-thienyl)methyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C20H29N3O2S+2 MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(C(C2)O)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C20H27N3O2S/c1-15(24)20-11-16(14-26-20)12-23-10-7-18(19(25)13-23)22(2)9-6-17-5-3-4-8-21-17/h3-5,8,11,14,18-19,25H,6-7,9-10,12-13H2,1-2H3/p+2/t18-,19-/m1/s1