5-[(2S)-1-(2-methylpropyl)pyrrolidin-1-ium-2-yl]-N-pyridin-3-yl-thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-(2-methylpropyl)pyrrolidin-1-ium-2-yl]-N-pyridin-3-yl-thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-isobutylpyrrolidin-1-ium-2-yl]-N-(3-pyridyl)thiophene-2-carboxamide CAS Name: 5-[(2S)-1-(2-methylpropyl)-2-pyrrolidin-1-iumyl]-N-(3-pyridinyl)-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-(2-methylpropyl)pyrrolidin-1-ium-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide Traditional Name: 5-[(2S)-1-isobutylpyrrolidin-1-ium-2-yl]-N-(3-pyridyl)thiophene-2-carboxamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCCC1C2=CC=C(S2)C(=O)NC3=CN=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCC[C@H]1C2=CC=C(S2)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C18H23N3OS/c1-13(2)12-21-10-4-6-15(21)16-7-8-17(23-16)18(22)20-14-5-3-9-19-11-14/h3,5,7-9,11,13,15H,4,6,10,12H2,1-2H3,(H,20,22)/p+1/t15-/m0/s1