5-[(2S)-1-(2-methylpropyl)pyrrolidin-1-ium-2-yl]-N-(1-methyl-1,2,3-triazol-4-yl)thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-(2-methylpropyl)pyrrolidin-1-ium-2-yl]-N-(1-methyl-1,2,3-triazol-4-yl)thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-isobutylpyrrolidin-1-ium-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide CAS Name: 5-[(2S)-1-(2-methylpropyl)-2-pyrrolidin-1-iumyl]-N-(1-methyl-4-triazolyl)-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-(2-methylpropyl)pyrrolidin-1-ium-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-isobutylpyrrolidin-1-ium-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide Formula: C16H24N5OS+ MolecularWeight: 334.45966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCCC1C2=CC=C(S2)C(=O)NC3=CN(N=N3)C

Isomeric SMILES

CC(C)C[NH+]1CCC[C@H]1C2=CC=C(S2)C(=O)NC3=CN(N=N3)C

InChI

InChI=1S/C16H23N5OS/c1-11(2)9-21-8-4-5-12(21)13-6-7-14(23-13)16(22)17-15-10-20(3)19-18-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,17,22)/p+1/t12-/m0/s1