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

Systemtic Name: (2R)-N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]carbamoyl]phenyl]oxolane-2-carboxamide Openeye Name: (2R)-N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]carbamoyl]phenyl]tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-[3-[oxo-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methyl]phenyl]-2-oxolanecarboxamide IUPAC Name: (2R)-N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]carbamoyl]phenyl]oxolane-2-carboxamide Traditional Name: (2R)-N-[3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]carbamoyl]phenyl]tetrahydrofuran-2-carboxamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=CC=C2)NC(=O)C3CCCO3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=CC=C2)NC(=O)[C@H]3CCCO3)C4=CC=CS4

InChI

InChI=1S/C22H27N3O3S/c26-21(23-15-18(20-9-5-13-29-20)25-10-1-2-11-25)16-6-3-7-17(14-16)24-22(27)19-8-4-12-28-19/h3,5-7,9,13-14,18-19H,1-2,4,8,10-12,15H2,(H,23,26)(H,24,27)/p+1/t18-,19+/m0/s1