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

Systemtic Name: 5-[(2R)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide CAS Name: 5-[(2R)-1-[(2-hydroxyphenyl)methyl]-2-pyrrolidin-1-iumyl]-N-[(1-methyl-4-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[(1-methylpyrazol-4-yl)methyl]-5-[(2R)-1-salicylpyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=CC=CC=C4O

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=CC=CC=C4O

InChI

InChI=1S/C21H24N4O2S/c1-24-13-15(12-23-24)11-22-21(27)20-9-8-19(28-20)17-6-4-10-25(17)14-16-5-2-3-7-18(16)26/h2-3,5,7-9,12-13,17,26H,4,6,10-11,14H2,1H3,(H,22,27)/p+1/t17-/m1/s1