N-[3-(furan-2-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(furan-2-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(2-furyl)phenyl]-1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(2-furanyl)phenyl]-1-(3-isoxazolylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(furan-2-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(2-furyl)phenyl]-1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=NOC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=NOC=C4

InChI

InChI=1S/C20H21N3O3/c24-20(15-6-9-23(10-7-15)14-18-8-12-26-22-18)21-17-4-1-3-16(13-17)19-5-2-11-25-19/h1-5,8,11-13,15H,6-7,9-10,14H2,(H,21,24)/p+1