N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H24N3O2S2+ MolecularWeight: 426.57486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C22H23N3O2S2/c26-21(23-15-18(19-8-4-12-28-19)25-10-1-2-11-25)16-6-3-7-17(14-16)24-22(27)20-9-5-13-29-20/h3-9,12-14,18H,1-2,10-11,15H2,(H,23,26)(H,24,27)/p+1/t18-/m0/s1