5-[(2S)-1-[(2,5-dimethoxy-4-methylsulfanyl-phenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2,5-dimethoxy-4-methylsulfanyl-phenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(2,5-dimethoxy-4-methylsulfanyl-phenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[2,5-dimethoxy-4-(methylthio)phenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[2,5-dimethoxy-4-(methylthio)benzyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H25N2O3S2+ MolecularWeight: 393.5434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCC2C3=CC=C(S3)C(=O)N)OC)SC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N)OC)SC

InChI

InChI=1S/C19H24N2O3S2/c1-23-14-10-18(25-3)15(24-2)9-12(14)11-21-8-4-5-13(21)16-6-7-17(26-16)19(20)22/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H2,20,22)/p+1/t13-/m0/s1