N-[4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C22H23N3O3S/c26-21(23-15-18(19-5-3-13-28-19)25-11-1-2-12-25)16-7-9-17(10-8-16)24-22(27)20-6-4-14-29-20/h3-10,13-14,18H,1-2,11-12,15H2,(H,23,26)(H,24,27)/p+1/t18-/m0/s1