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

Systemtic Name: N-phenyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-phenyl-1-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S/c24-20(21-16-5-2-1-3-6-16)15-8-10-23(11-9-15)14-17-13-18(25-22-17)19-7-4-12-26-19/h1-7,12-13,15H,8-11,14H2,(H,21,24)/p+1