5-[(2S)-1-[(5-methoxy-2-pyrazol-1-yl-phenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(5-methoxy-2-pyrazol-1-yl-phenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(5-methoxy-2-pyrazol-1-yl-phenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[5-methoxy-2-(1-pyrazolyl)phenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-(5-methoxy-2-pyrazol-1-yl-benzyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCCC3C4=CC=C(S4)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC[C@H]3C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C20H22N4O2S/c1-26-15-5-6-16(24-11-3-9-22-24)14(12-15)13-23-10-2-4-17(23)18-7-8-19(27-18)20(21)25/h3,5-9,11-12,17H,2,4,10,13H2,1H3,(H2,21,25)/p+1/t17-/m0/s1