N-[[(3R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-[(4-phenylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-[(4-phenyl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-[(4-phenylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=CS2)C3=CC=CC=C3)CNC(=O)C4=CC=CO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=CS2)C3=CC=CC=C3)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C21H23N3O2S/c25-21(19-9-5-11-26-19)22-12-16-6-4-10-24(13-16)14-20-23-18(15-27-20)17-7-2-1-3-8-17/h1-3,5,7-9,11,15-16H,4,6,10,12-14H2,(H,22,25)/p+1/t16-/m1/s1