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

Systemtic Name: 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-ethyl-2-furyl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-ethyl-2-furanyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-ethyl-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:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

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