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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(2-phenylthiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2-phenyl-4-thiazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(2-phenylthiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-20-9-5-4-8-19(20)24-21(27)16-10-12-25(13-11-16)14-18-15-28-22(23-18)17-6-2-1-3-7-17/h1-9,15-16,26H,10-14H2,(H,24,27)/p+1