N-(6-ethylpyridin-2-yl)-5-[(2R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(6-ethylpyridin-2-yl)-5-[(2R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(6-ethyl-2-pyridyl)-5-[(2R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(6-ethyl-2-pyridinyl)-5-[(2R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(6-ethylpyridin-2-yl)-5-[(2R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(6-ethyl-2-pyridyl)-5-[(2R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC=C1)NC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=NNC(=C4)C

Isomeric SMILES

CCC1=NC(=CC=C1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=NNC(=C4)C

InChI

InChI=1S/C21H25N5OS/c1-3-15-6-4-8-20(22-15)23-21(27)19-10-9-18(28-19)17-7-5-11-26(17)13-16-12-14(2)24-25-16/h4,6,8-10,12,17H,3,5,7,11,13H2,1-2H3,(H,24,25)(H,22,23,27)/p+1/t17-/m1/s1