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

Systemtic Name: (3R,4R)-1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-4-morpholino-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-4-(4-morpholinyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]-4-morpholin-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-4-morpholino-piperidin-1-ium-3-ol Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3S/c1-19(2,23)7-5-15-3-4-16(25-15)13-20-8-6-17(18(22)14-20)21-9-11-24-12-10-21/h3-4,17-18,22-23H,6,8-14H2,1-2H3/p+1/t17-,18-/m1/s1