5-[(2S)-1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCCC2C3=CC=C(S3)C(=O)N)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N)O

InChI

InChI=1S/C21H24N2O2S/c1-21(2,25)12-11-15-5-7-16(8-6-15)14-23-13-3-4-17(23)18-9-10-19(26-18)20(22)24/h5-10,17,25H,3-4,13-14H2,1-2H3,(H2,22,24)/p+1/t17-/m0/s1