N-(4-methylsulfanylphenyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[4-(methylthio)phenyl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C16H19N2OS2+ MolecularWeight: 319.46486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CC=C(S2)C3CCC[NH2+]3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C16H18N2OS2/c1-20-12-6-4-11(5-7-12)18-16(19)15-9-8-14(21-15)13-3-2-10-17-13/h4-9,13,17H,2-3,10H2,1H3,(H,18,19)/p+1/t13-/m1/s1