(3S)-1-(1,2-oxazol-3-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1,2-oxazol-3-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-isoxazolylmethyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1,2-oxazol-3-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O3/c26-21(16-5-4-11-25(14-16)15-17-9-12-27-24-17)23-19-7-1-2-8-20(19)28-18-6-3-10-22-13-18/h1-3,6-10,12-13,16H,4-5,11,14-15H2,(H,23,26)/p+1/t16-/m0/s1