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

Systemtic Name: (3S,4S)-1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-18(2,22)6-5-14-3-4-15(24-14)11-19-12-16(17(21)13-19)20-7-9-23-10-8-20/h3-4,16-17,21-22H,7-13H2,1-2H3/p+1/t16-,17-/m0/s1