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

Systemtic Name: (3S,4S)-1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CC(C(C2)O)N3CCOCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCOCC3)O

InChI

InChI=1S/C20H28N2O3/c1-20(2,24)8-7-16-3-5-17(6-4-16)13-21-14-18(19(23)15-21)22-9-11-25-12-10-22/h3-6,18-19,23-24H,9-15H2,1-2H3/p+1/t18-,19-/m0/s1