3-[(3R)-1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[(3R)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[(3R)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-3-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[(3R)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCCC(C2)CCC(=O)N3CCOCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCOCC3)O

InChI

InChI=1S/C22H32N2O3S/c1-22(2,26)10-9-19-6-7-20(28-19)17-23-11-3-4-18(16-23)5-8-21(25)24-12-14-27-15-13-24/h6-7,18,26H,3-5,8,11-17H2,1-2H3/p+1/t18-/m1/s1