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

Systemtic Name: N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C23H25N3O3S/c27-22(17-8-2-3-9-18(17)25-23(28)21-11-7-15-30-21)24-16-19(20-10-6-14-29-20)26-12-4-1-5-13-26/h2-3,6-11,14-15,19H,1,4-5,12-13,16H2,(H,24,27)(H,25,28)/p+1/t19-/m0/s1