N-(2-methylpropyl)-5-[(2R)-1-(2-piperidin-1-ium-1-ylethanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(2-methylpropyl)-5-[(2R)-1-(2-piperidin-1-ium-1-ylethanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide Openeye Name: N-isobutyl-5-[(2R)-1-(2-piperidin-1-ium-1-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide CAS Name: N-(2-methylpropyl)-5-[(2R)-1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-2-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: N-(2-methylpropyl)-5-[(2R)-1-(2-piperidin-1-ium-1-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide Traditional Name: N-isobutyl-5-[(2R)-1-(2-piperidin-1-ium-1-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(S1)C2CCCN2C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(S1)[C@H]2CCCN2C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O2S/c1-15(2)13-21-20(25)18-9-8-17(26-18)16-7-6-12-23(16)19(24)14-22-10-4-3-5-11-22/h8-9,15-16H,3-7,10-14H2,1-2H3,(H,21,25)/p+1/t16-/m1/s1