1-[(4,5-dimethylfuran-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4,5-dimethyl-2-furyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4,5-dimethyl-2-furanyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4,5-dimethyl-2-furyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4)C

InChI

InChI=1S/C22H25N3O2S/c1-15-10-20(27-16(15)2)12-25-8-6-17(7-9-25)22(26)24-19-5-3-4-18(11-19)21-13-28-14-23-21/h3-5,10-11,13-14,17H,6-9,12H2,1-2H3,(H,24,26)/p+1