N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C25H35N3O4S/c29-25(26-20-23(24-8-7-19-32-24)27-15-3-1-4-16-27)14-11-21-9-12-22(13-10-21)33(30,31)28-17-5-2-6-18-28/h7-10,12-13,19,23H,1-6,11,14-18,20H2,(H,26,29)/p+1/t23-/m0/s1